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Journal articles on the topic 'Cations and anions'

Author: Grafiati

Published: 3 June 2025

Last updated: 31 July 2025

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1

Jarjis, Hayfa M., and Salim M. Khalil. "MINDO-Forces Study of Phenyl and Cyclopropyl Substituted Allyl Cations and Anions." Zeitschrift für Naturforschung A 42, no. 3 (1987): 297–304. http://dx.doi.org/10.1515/zna-1987-0317.

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MINDO-force calculations have been performed on phenyl and cyclopropyl substituted allyl cations and anions with complete energy minimization. It is found that the phenyl ring destabilizes the allyl cations when substituted at the terminal and at the center carbon atom of the cation, while the cyclopropyl ring stabilizes the allyl cation when substituted at the terminal carbon atoms, but destabilizes the cation when substituted at the center carbon atom of the cation. These results agree with the experimental ones. In the case of the allyl anions, it is found that the phenyl ring destabilizes

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2

Yuliana, Ruth Yabansabra, Tenem Chemistry Emiliana, Sriyanto, and Asmuruf Frans. "Analysis of Mineral Salt from Daemonorops rebustus." INTERNATIONAL JOURNAL OF PHARMACEUTICAL AND BIO-MEDICAL SCIENCE 04, no. 07 (2024): 637–42. https://doi.org/10.5281/zenodo.12804303.

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Rattan (<em>Daemonorops rebustus</em>) is widely used as salt or flavoring traditionally. However, research on the mineral (anions and cations) of the ash of the rattan plant has never been reported. The purpose of this study is to determine the mineral content (anions and cations dissolved in water) contained in the rattan leaf ash by qualitative and quantitative analysis methods. The method used was the collection of lambing rattan samples in Boven Digoel  district, preliminary tests of cations and anions, and then testing of cation/anion contretation from rattan. The results obtained s

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3

Krebs, Frederik C., Bo W. Laursen, Ib Johannsen, et al. "The geometry and structural properties of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state. Structures of a planar organic cation with various monovalent and divalent anions." Acta Crystallographica Section B Structural Science 55, no. 3 (1999): 410–23. http://dx.doi.org/10.1107/s0108768198016140.

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The geometry of the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene system in the cationic state was established by X-ray structural resolution of the salts formed between the cation and various anions. The geometry was found to be planar for the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrenylium and 2,6,10-tri(tert-butyl)-4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrenylium cations with the monovalent anions I−, BF_4^-, PF_6^-, AsF_6^-, HNO3.NO_3^- and CF3SO_3^-, and the divalent anions S2O_6^{2-} and Mo6Cl_{14}^{2-}. The salts were found to crystallize in distinct spa

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4

Xu, Si-Yu, Zhou-Yu Meng, Feng-Qi Zhao, and Xue-Hai Ju. "Density functional study of guanidine-azole salts as energetic materials." Canadian Journal of Chemistry 96, no. 10 (2018): 949–56. http://dx.doi.org/10.1139/cjc-2018-0106.

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A series of guanidine cations and azole anions were designed for use as energetic salts. Their geometrical structures were optimized by the density functional theory (DFT) method. The counter ions were matched by the similar magnitude of the electron affinity (EA) of the cation and the ionization potential (IP) of the anion. The densities, heats of formation, detonation parameters, and impact sensitivity were predicted. The incorporation of guanidine cations and diazole anions are favorable to form thermal stable salts except cation A1. The diaminoguanidine cation has greater impact on the den

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5

Yamuna, Thammarse S., Jerry P. Jasinski, Manpreet Kaur, Brian J. Anderson, and H. S. Yathirajan. "5-(4-Fluorophenyl)-2H-pyrazol-1-ium 2,2,2-trifluoroacetate." Acta Crystallographica Section E Structure Reports Online 70, no. 4 (2014): o429—o430. http://dx.doi.org/10.1107/s1600536814005200.

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The title salt, C9H8FN2+·C2F3O2−, crystallizes with two independent cations (AandB) and two independent anions (CandD) in the asymmetric unit. In the cations, the dihedral angles between the benzene and pyrazolium rings are 23.7 (3)° in cationAand 1.8 (8)° in cationB. In the crystal, each anion links to the two cationsviaN—H...O hydrogen bonds, forming a U-shaped unit with anR44(14) ring motif. These U-shaped units stack along theaaxis and are linkedviaC—H...O and C—H...F hydrogen bonds, forming slabs lying parallel to (100). Within the slabs there are π–π interactions between the pyrazolium r

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6

Anitha, R., S. Athimoolam, S. Asath Bahadur, and M. Gunasekaran. "4-Chloroanilinium 3-carboxyprop-2-enoate." Acta Crystallographica Section E Structure Reports Online 68, no. 4 (2012): o959—o960. http://dx.doi.org/10.1107/s1600536812008458.

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In the title compound, C6H7ClN+·C4H3O4−, the cations and anions lie on mirror planes and hence only half of the molecules are present in the asymmeric unit. The 4-chloroanilinium cation and hydrogen maleate anion in the asymmetric unit are each planar and are oriented at an angle of 15.6 (1)° to one another and perpendicular to thebaxis. A characterestic intramolecular O—H...O hydrogen bond, forming an S(7) motif, is observed in the maleate anion. In the crystal, the cations and anions are linked by N—H...O hydrogen bonds, forming layers in theabplane. The aromatic rings of the cations are san

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7

Diop, Mouhamadou Birame, Libasse Diop, and Thierry Maris. "Crystal structures of the two salts 2-methyl-1H-imidazol-3-ium nitrate–2-methyl-1H-imidazole (1/1) and 2-methyl-1H-imidazol-3-ium nitrate." Acta Crystallographica Section E Crystallographic Communications 72, no. 4 (2016): 482–85. http://dx.doi.org/10.1107/s2056989016003789.

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The title salts, C4H7N2+·NO3−·C4H6N2, (I), and C4H7N2+·NO3−, (II), were obtained from solutions containing 2-methylimidazole and nitric acid in different concentrations. In the crystal structure of salt (I), one of the –NH H atoms of the imidazole ring shows half-occupancy, hence only every second molecule is in its cationic form. The nitrate anion in this structure lies on a twofold rotation axis. The neutral 2-methylimidazole molecule and the 2-methyl-1H-imidazol-3-ium cation interact through N—H...N hydrogen bonds to form [(C4H6N2)...(C4H7N2)+] pairs. These pairs are linked with two nitrate

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8

Wilkinson, Hazel S., and William T. A. Harrison. "Hexane-1,6-diammonium bis(dihydrogenarsenate): infinite anionic layers containing R 6 6(24) loops." Acta Crystallographica Section E Structure Reports Online 63, no. 3 (2007): m902—m904. http://dx.doi.org/10.1107/s1600536807007672.

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The title compound, C6H18N2 2+·2H2AsO4 −, contains a network of doubly protonated centrosymmetric hexane-1,6-diammonium cations and dihydrogenarsenate anions. These species interact by way of cation-to-anion N—H...O and anion-to-anion O—H...O hydrogen bonds, the latter leading to infinite sheets of the H2AsO4 − anions.

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9

Sarr, Modou, Carina Merkens, Aminata Diassé-Sarr, Libasse Diop, and Ulli Englert. "Bis(cyclohexylammonium) tetrachloridodiphenylstannate(IV)." Acta Crystallographica Section E Structure Reports Online 70, no. 6 (2014): m220—m221. http://dx.doi.org/10.1107/s160053681401109x.

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The title compound, (C6H14N)2[Sn(C6H5)2Cl4], contains cyclohexylammonium cations in general positions and a stannate(IV) anion that is located on a twofold rotation axis. The SnIVatom in the complex anion is surrounded by four Cl−ligands and twotrans-phenyl groups in a distorted octahedral configuration. The anions are connected with the cations through N—H...Cl hydrogen bonds. Every cation is involved in three N—H...Cl bonds to the chloride ligands of three different anions, and each chloride ligand is linked to two cations. This arrangement leads to a layered structure parallel to (010).

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10

Vetrivel, S., E. Vinoth, R. U. Mullai, R. Aruljothi, and M. NizamMohideen. "Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]." Acta Crystallographica Section E Crystallographic Communications 72, no. 5 (2016): 616–19. http://dx.doi.org/10.1107/s2056989016005284.

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The asymmetric unit of the organic–inorganic title salt, (C10H28N4)[Cr2O7]2, comprises one half of an 1,4-bis(3-ammoniopropyl)piperazinediium cation (the other half being generated by the application of inversion symmetry) and a dichromate anion. The piperazine ring of the cation adopts a chair conformation, and the two CrO4tetrahedra of the anion are in an almost eclipsed conformation. In the crystal, the cations and anions form a layered arrangement parallel to (001). N—H...O hydrogen bonds between the cations and anions and additional C—H...O interactions lead to the formation of a three-di

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11

Keshavarzi, Ezat, and Mahsa Abareghi. "The Effect of Stern Layer Thickness on the Diffuse Capacitance for Size Asymmetric Electrolyte inside the Charged Spherical Cavities by Density Functional Theory." Journal of The Electrochemical Society 169, no. 2 (2022): 020547. http://dx.doi.org/10.1149/1945-7111/ac52fe.

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The Modified Fundamental Measure Theory was used within the Primitive Model to determine Stern layer thickness in charged spherical cavity. The different behaviors for mean electric potential in Stern region with those one in the diffuse region was considered as the best criteria to determine this thickness. Depending on concentration, ion charge and size, and cavity charge the cations or anions may be found at the closest distance from the cavity’s wall, which lead two values for Stern thickness. In the present case study in which anions are assumed to be larger than cations, at zero or low p

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12

Franciolini, F., and W. Nonner. "Anion-cation interactions in the pore of neuronal background chloride channels." Journal of General Physiology 104, no. 4 (1994): 711–23. http://dx.doi.org/10.1085/jgp.104.4.711.

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Background Cl channels in neurons and skeletal muscle are significantly permeable for alkali cations when tested with asymmetrical concentrations of the same salt. Both anion and cation permeation were proposed to require binding of an alkali cation with the pore (Franciolini, F., and W. Nonner. 1987. Journal of General Physiology. 90:453-478). We tested this hypothesis by bilaterally substituting large alkali cations for Na and found no significant changes of unitary conductance at 300 mM symmetrical concentrations. In addition, all organic cations examined were permeant in a salt gradient te

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13

Maslen, E. N., and B. E. Etschmann. "Bonding without ionisation." Australian Journal of Physics 53, no. 2 (2000): 299. http://dx.doi.org/10.1071/ph99027.

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Charges are calculated for diatomic molecules by partitioning the promolecular density with projection operators derived from free atom potentials. The promolecular charges thus obtained have physically reasonable magnitudes, which are moderately sensitive to interatomic distances and thus to bond type. Their signs are negative for cations and positive for anions. Trends in these charges correlate with subshell structure. Due to the long range of their electrostatic potentials, the cations compete successfully for electrons at the expense of the anions in the density partitioning. This implies

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14

Pritchard, J. B., and D. S. Miller. "Comparative insights into the mechanisms of renal organic anion and cation secretion." American Journal of Physiology-Regulatory, Integrative and Comparative Physiology 261, no. 6 (1991): R1329—R1340. http://dx.doi.org/10.1152/ajpregu.1991.261.6.r1329.

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Comparative models have played a major role in defining the mechanisms that enable vertebrate proximal tubules to transport organic anions and cations from the peritubular interstitium to the urine. The unique advantages of these models and their contributions to our understanding of organic anion and cation transport mechanisms are summarized here. Recent studies of the organic anion transport system suggest that transport is coupled to metabolic energy via indirect coupling to the sodium gradient. Organic anions enter the cell across the basolateral membrane in exchange for alpha-ketoglutara

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15

King, Benjamin T., Bruce C. Noll та Josef Michl. "Cation-π Interactions in the Solid State: Crystal Structures of M+(benzene)2CB11Me12- (M = Tl, Cs, Rb, K, Na) and Li+(toluene)CB11Me12-". Collection of Czechoslovak Chemical Communications 64, № 6 (1999): 1001–12. http://dx.doi.org/10.1135/cccc19991001.

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In these crystal structures, the relatively weak electrostatic interactions between the bulky CB11Me12- anion and the title cations permit cation-π interactions in the solid state. In all cases, single-crystal X-ray diffraction analysis reveals η6-arene-cation interactions within 10% of the expected van der Waals distance. The Tl+, Cs+, Rb+, and K+ structures are isomorphous, with the benzene molecules sandwiching the cation and four anions equatorially disposed in a nearly square arrangement. Both the cation and the near-square of closest anions are positioned to interact favorably with the l

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16

Liu, Dong Wu, Zhi Wei Chen, Lei Xu, Zheng Jie Zhang, Bao Yu Ju, and Wen Chao Cheng. "Ion Chromatographic Determination of Cations and Anions in Tap Water." Advanced Materials Research 225-226 (April 2011): 128–31. http://dx.doi.org/10.4028/www.scientific.net/amr.225-226.128.

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Ion chromatography (IC) has been developed for the simultaneous analysis of cations and anions in the water, food, atmosphere, etc. Chromatography can yield the precise and reproducible data if the experimental condition is kept constant. In the present studies, the major cations and anions in the tap water were determined with the technique of IC. A Dionex ICS-2000 ion chromatograph with a Dionex gradient pump, eluent degassing module and conductivity detector was used. Cations were separated on a CS12 A ion-exchange column, with a CG-12 A guard column, and detected after suppression with CSR

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17

Wilkinson, Hazel S., and William T. A. Harrison. "2-Methylpiperazinium bis(dihydrogenarsenate)." Acta Crystallographica Section E Structure Reports Online 63, no. 3 (2007): m900—m901. http://dx.doi.org/10.1107/s1600536807008392.

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The title compound, C5H14N2 2+·2H2AsO4 −, contains a network of centrosymmetric doubly protonated 2-methylpiperazinium cations, showing disorder of the methyl group, accompanied by dihydogenarsenate anions. The component species interact by way of cation-to-anion N—H...O and anion-to-anion O—H...O hydrogen bonds, the latter leading to infinite sheets of the H2AsO4 − anions containing R 6 6(24) supramolecular loops.

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18

Padayachy, Kamentheren, Manuel A. Fernandes, Helder M. Marques, and Alvaro S. de Sousa. "Bis(2-bromoethyl)ammonium bromide." Acta Crystallographica Section E Structure Reports Online 68, no. 8 (2012): o2570—o2571. http://dx.doi.org/10.1107/s1600536812033417.

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The title salt, C4H10Br2N+·Br−, crystallizes with four cations and four anions in the asymmetric unit. In the crystal, the bis(2-bromoethyl)ammonium cations and bromide anions are linked into chains by N—H...Br hydrogen bonds describing a binaryC21(4) motif along [010]. Each of these chains is formed by a unique cation and anion pair. The ammonium cations occur in the less preferredanticonformation, characterized by different NCCBr torsion angles. Adjacent chains are linked by weak C—H...Br interactions, forming a three-dimensional network. The crystal studied was a pseudo-merohedral twin with

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19

Mouas, Nardjes, Hocine Merazig, Jean-Claude Daran, and Eric Manoury. "rac-{[2-(Diphenylthiophosphoryl)ferrocenyl]methyl}dimethylammonium diphenyldithiophosphinate." Acta Crystallographica Section E Structure Reports Online 68, no. 4 (2012): m381—m382. http://dx.doi.org/10.1107/s1600536812009129.

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2-(Diphenylthiophosphino)dimethylaminomethylferrocene is a key intermediate in the synthesis of various ferrocenyl ligands. During one such synthesis, the title compound, [Fe(C5H5)(C20H22NPS)](C12H10PS2), was isolated as a by-product. It is built up by association of (2-(diphenylphosphino)ferrocenyl)methyl)dimethylammonium cations and diphenylphosphino dithioate anions. N—H...S, C—H...S and C—H...π interactions link the anions and cations. Each anion–cation pair is linked two by two through C—H...π interactions, forming pseudo dimers.

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20

Tomiyama, Etsuko, Kazuaki Tomono, and Kazuo Miyamura. "2,3-Diethylthiazolium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)." Acta Crystallographica Section E Structure Reports Online 63, no. 11 (2007): m2741. http://dx.doi.org/10.1107/s1600536807049070.

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In the title complex, (C7H12NS)[Ni(C3S5)2], the dihedral angle between the thiazole ring of the cation and the plane of the anion is 8.0 (2)°. In the crystal structure, S...S intermolecular interactions between the anions form a distorted honeycomb structure parallel to the (002) plane, with cavities ∼12.34 Å in diameter. The cavities are filled with cations. The cations and anions are linked via S...S [3.6657 (15) and 3.6240 (15) Å] and C—H...S interactions.

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21

Nguyen, Vu D., Cameron A. McCormick, Robert A. Pascal, Joel T. Mague, and Lynn V. Koplitz. "Crystal structure of 2-cyano-1-methylpyridinium bromide." Acta Crystallographica Section E Crystallographic Communications 71, no. 11 (2015): o854—o855. http://dx.doi.org/10.1107/s2056989015019167.

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In the title molecular salt, C7H7N2+·Br−, all the non-H atoms lie on crystallographic mirror planes. The packing consists of (010) cation–anion layers, with the cations forming dimeric unitsviavery weak pairwise C—H...N interactions. Weak C—H...Br interactions link the cations to the anions.

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22

Venkatesan, P., V. Rajakannan, and S. Thamotharan. "Crystal structure of 3-amino-1-propylpyridinium bromide." Acta Crystallographica Section E Structure Reports Online 70, no. 12 (2014): 580–83. http://dx.doi.org/10.1107/s1600536814025665.

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The title molecular salt, C8H13N2+·Br−, crystallizes with two independent 3-aminopyridinium cations and two bromide anions in the asymmetric unit (Z′ = 2). In the pyridine ring, the N atom is alkylated by a propyl group. The dihedral angle between the mean planes of the pyridinium ring and the propyl group is 84.84 (2)° in cationA, whereas the corresponding angle is 89.23 (2)° in cationB. In the crystal, the anions and cations are linkedviaN—H...Br and C—H...Br hydrogen bonds, forming chains propagating along [100].

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23

Kharrat, Houda, Slaheddine Kamoun та François Michaud. "catena-Poly[N,N,N′,N′-tetramethylethylendiammonium [[tetrabromidoantimonate(III)]-μ-bromido] hemihydrate]". Acta Crystallographica Section E Structure Reports Online 69, № 12 (2013): m637—m638. http://dx.doi.org/10.1107/s1600536813028894.

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The asymmetric unit of the title compound {(C6H18N2)2[Sb2Br10]·H2O}n, consists of two tetramethylethylendiammonium cations that are located on centres of inversion, as well as one tetramethylethylendiammonium cation, one water molecule, one distorted octahedral [SbBr6]3−anion and one bisphenoidal [SbBr4]−anion in general positions. The [SbBr6]3−and [SbBr4]−anions are linked together by two long Sb—Br bonds of 3.2709 (8) and 3.5447 (7) Å into {[Sb2Br10]4−}nchains along [001]. One of the three tetramethylethylendiammonium cations is disordered and was refined using a split model (occupancy ratio

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24

Amin, Muhammad, and Lee Wah Lim. "Ion Chromatographic Method for the Simultaneous Determination of Anions and Cations in Firecrackers and Matches Samples as Known Potential Explosives." ALCHEMY Jurnal Penelitian Kimia 15, no. 1 (2019): 138. http://dx.doi.org/10.20961/alchemy.15.1.27570.138-148.

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<p class="Abstract">A reference ion chromatography method based on column switching has been presented for the simultaneous determining anions (Cl<sup>−</sup>, ClO<sub>3</sub><sup>−</sup>, NO<sub>2</sub><sup>−</sup>, SO<sub>4</sub><sup>2</sup><sup>−</sup>, and NO<sub>3</sub><sup>−</sup>) and/or cations (NH<sub>4</sub><sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Ca<sup>2+</sup>, and Mg<sup>2+</sup>)

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25

Constable, Edwin C., and Catherine E. Housecroft. "Embracing [XY3]m–and [XY4]m– Anions in Salts of [M(bpy)3]q+." Crystals 13, no. 1 (2023): 97. http://dx.doi.org/10.3390/cryst13010097.

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[M(bpy)3]q+ cations (bpy = 2,2′-bipyridine) are archetypical coordination entities containing chelating bidentate N,N′-donor ligands. Each propeller-shaped cation is chiral, existing as a Δ or Λ enantiomer. The supramolecular chemistry of [M(bpy)3]q+ cations in the crystal is dominated by cation-anion interactions and, to a lesser extent, weaker non-covalent interactions. Analysis of the data for [M(bpy)3]q+ salts in the Cambridge Structural Database (CSD) reveals a ubiquitous motif in which homochiral sheets of cations generate cavities for the accommodation of anions. A series of related and

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26

Ndiolene, Adrienne, Tidiane Diop, Mouhamadou Sembène Boye, Aminata Diasse-Sarr, and Ulli Englert. "A new organic–inorganic compound, ethylenediammonium hexachloridostannate(IV) p-anisaldehyde disolvate." Acta Crystallographica Section E Crystallographic Communications 77, no. 7 (2021): 696–99. http://dx.doi.org/10.1107/s205698902100579x.

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The asymmetric unit of the title organic–inorganic hybrid complex [systematic name: ethane-1,2-diaminium hexachloridostannate(IV)–4-methoxybenzaldehyde (1/2)], (C2H10N2)[SnCl6]·2C8H8O2, contains one half of an ethylenediammonium cation, one half of an [SnCl6]2− anion and one p-anisaldehyde molecule. Both the organic cation and the quasi-regular octahedral inorganic anion are located about inversion centres. The organic cations and [SnCl6]2− anions lie in layers parallel to the ac plane with p-anisaldehyde molecules occupying the space between the layers. A network of classical N—H...Cl and N—H

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27

Zeindlhofer, Veronika, Phillip Hudson, Ádám Márk Pálvölgyi, et al. "Enantiomerization of Axially Chiral Biphenyls: Polarizable MD Simulations in Water and Butylmethylether." International Journal of Molecular Sciences 21, no. 17 (2020): 6222. http://dx.doi.org/10.3390/ijms21176222.

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In this study, we investigate the influence of chiral and achiral cations on the enantiomerization of biphenylic anions in n-butylmethylether and water. In addition to the impact of the cations and solvent molecules on the free energy profile of rotation, we also explore if chirality transfer between a chiral cation and the biphenylic anion is possible, i.e., if pairing with a chiral cation can energetically favour one conformer of the anion via diastereomeric complex formation. The quantum-mechanical calculations are accompanied by polarizable MD simulations using umbrella sampling to study t

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28

Wickramasinhage, Ravindra N., C. John McAdam, Lyall R. Hanton, Stephen C. Moratti, and Jim Simpson. "The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate." Acta Crystallographica Section E Crystallographic Communications 75, no. 10 (2019): 1445–51. http://dx.doi.org/10.1107/s2056989019012003.

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The title salt, C10H21N2O+·C7H12NO4S−, comprises a 3-methacrylamido-N,N,N-trimethylpropan-1-aminium cation and a 2-acrylamido-2-methylpropane-1-sulfonate anion. The salt crystallizes with two unique cation–anion pairs in the asymmetric unit of the orthorhombic unit cell. The crystal studied was an inversion twin with a 0.52 (4):0.48 (4) domain ratio. In the crystal, the cations and anions stack along the b-axis direction and are linked by an extensive series of N—H...O and C—H...O hydrogen bonds, forming a three-dimensional network. Hirshfeld surface analysis was carried out on both the asymme

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29

Poleti, Dejan, and Jelena Rogan. "Dirubidium hexaaquacobalt(II) tetrakis(hydrogen phthalate) tetrahydrate and coordination modes of the hydrogen phthalate anion." Acta Crystallographica Section C Crystal Structure Communications 69, no. 8 (2013): 841–46. http://dx.doi.org/10.1107/s0108270113016788.

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The title compound, Rb2[Co(H2O)6](C8H5O4)4·4H2O, consists of nearly regular octahedral [Co(H2O)6]2+cations with the CoIIcations on the inversion centre (special position 2a), Rb+cations, hydrogen phthalate (Hpht−) anions and disordered water molecules. The Rb+cation is surrounded by nine O atoms from Hpht−anions and water molecules, with a strongly deformed pentagonal–bipyramidal geometry and one apex split into three positions. The crystal packing is governed by numerous hydrogen bonds involving all water molecules and Hpht−anions. In this way, layers parallel to theabplane are formed, with t

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30

Kaduk, James A., Amy M. Gindhart, and Thomas N. Blanton. "Crystal structure of hyoscyamine sulfate monohydrate, (C17H24NO3)2(SO4)(H2O)." Powder Diffraction 35, no. 4 (2020): 286–92. http://dx.doi.org/10.1017/s0885715620000603.

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The crystal structure of hyoscyamine sulfate monohydrate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Hyoscyamine sulfate monohydrate crystallizes in space group P21 (#4) with a = 6.60196(2), b = 12.95496(3), c = 20.93090(8) Å, β = 94.8839(2)°, V = 1783.680(5) Å3, and Z = 2. Despite the traditional description as a dihydrate, hyoscyamine sulfate crystallizes as a monohydrate. The two independent hyoscyamine cations have different conformations, which have similar energies. One of the cations is close to the minim

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31

Bouchene, Rafika, Sofiane Bouacida, Fadila Berrah, and Thierry Roisnel. "A simple hydrated salt with a complex hydrogen-bonding network: tetrakis(5-amino-3-carboxy-4H-1,2,4-triazol-1-ium) hexachloridocadmate(II) tetrahydrate." Acta Crystallographica Section C Structural Chemistry 70, no. 7 (2014): 672–76. http://dx.doi.org/10.1107/s2053229614012819.

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In the title cadmium chloride salt, (C3H5N4O2)4[CdCl6]·4H2O, the asymmetric unit comprises two N-protonated 5-amino-3-carboxy-4H-1,2,4-triazol-1-ium cations, half a [CdCl6]4−anion and two molecules of water. The Cd2+cation is located on a centre of inversion and is coordinated by six chloride anions, forming a distorted octahedron. In the crystal structure, alternating layers of cations and anions are arranged along the [101] direction, forming a three-dimensional supramolecular networkviaa combination of hydrogen-bonding and aromatic stacking interactions.

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32

Liu, Ming-Liang. "Bis(2-trifluoromethyl-1H-benzimidazol-3-ium) tetrachloridomercurate dihydrate." Acta Crystallographica Section E Structure Reports Online 68, no. 6 (2012): m716. http://dx.doi.org/10.1107/s1600536812018855.

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In the title compound, (C8H6F3N2)2[HgCl4]·2H2O, the HgII cation is coordinated by four Cl− anions in a distorted tetrahedral geometry. In the crystal, the 2-trifluoromethyl-1H-benzimidazolium cations link to the [HgCl4]2− complex anions and lattice water molecules via N—H...Cl and N—H...O hydrogen bonds, and the lattice water molecules further link to the Hg complex anion and the organic cations via O—H...Cl and O—H...F hydrogen bonding. One of the trifluoromethyl groups is disordered over two orientations in a 0.59 (4):0.41 (4) ratio.

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33

Lejon, Tore, Alexey S. Gorovoy, and Victor N. Khrustalev. "Potassium [(1S)-1-azido-2-phenylethyl]trifluoridoborate." Acta Crystallographica Section E Structure Reports Online 68, no. 8 (2012): m1048. http://dx.doi.org/10.1107/s1600536812030085.

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The title compound, K+·C8H8BF3N3−, is a salt containing the chiral organic trifluoridoborate anion. The organic anions and potassium cations are tightly bound to each other by the coordination K—F [2.654 (3)–3.102 (3) Å] and K—N [2.951 (4)–3.338 (4) Å] interactions. Thus, the potassium cation adopts a nine-vertex coordination polyhedron, which can be described as a distorted monocapped tetragonal antiprism. In the crystal, the organic anions and potassium cations form layers parallel to (001). Weak C—H...π interactions between neighbouring phenyl rings further stabilize the crystal.

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34

Chantrapromma, Suchada, Boonwasana Jindawong, Hoong-Kun Fun, P. S. Patil, and Chatchanok Karalai. "2-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-chlorobenzenesulfonate." Acta Crystallographica Section E Structure Reports Online 62, no. 5 (2006): o1802—o1804. http://dx.doi.org/10.1107/s1600536806012347.

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The title compound, C19H18NO2 +·C6H4ClO3S−, exhibits non-linear optical properties. The cation is almost planar and the benzene ring of the anion makes dihedral angles of 48.97 (6) and 51.63 (7)° with the mean planes through the quinolinium system and the benzene ring of the cation, respectively. The anions are linked by C—H...O interactions, forming a chain along the a axis, while the cations are stacked along the a axis. The anionic chains and the cationic stacks are alternately arranged.

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35

Srinivas, Dharavath, Vikas D. Ghule, and Krishnamurthi Muralidharan. "Energetic salts prepared from phenolate derivatives." New J. Chem. 38, no. 8 (2014): 3699–707. http://dx.doi.org/10.1039/c4nj00533c.

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36

McIntosh, Jory S., Eric R. Del Aguila, Samuel M. Bhutto, Neo Y. Bao, and Louise A. Berben. "Supporting Electrolyte Design for a Stable Nonaqueous Redox Flow Battery Analyte." ECS Meeting Abstracts MA2024-01, no. 3 (2024): 554. http://dx.doi.org/10.1149/ma2024-013554mtgabs.

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Non-aqueous redox flow batteries (NRFB) are of interest due to their enhanced potential for large energy densities compared to aqueous redox flow batteries. In this work, we compare the effects of several commonly used supporting electrolytes on the cycling stability of our previously reported active organic electrolyte. We report on the effects of various common cations and anions, and on the combined effects of various pairs. We find that non-coordinating anions and cations provide the most stable battery configurations. Cation and anions that will be discussed include 1-ethyl-3-methylimidaz

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37

Kennedy, Alan R., and Maurice O. Okoth. "2-Aminoethanaminium iodide." Acta Crystallographica Section E Structure Reports Online 68, no. 6 (2012): o1731. http://dx.doi.org/10.1107/s160053681202065x.

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The title salt, [NH3CH2CH2NH2]+·I−, has an array structure based on strong intermolecular N—H...N hydrogen bonding formed between the ammonium and amine groups of adjacent cations. This interaction gives a helical chain of cations that runs parallel to the b axis. The four remaining NH group H atoms all form hydrogen bonds to the iodide anion, and these iodide anions lie in channels parallel to the cation–cation chains.

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38

Sperlich, Eric, and Martin Köckerling. "Cation-anion pairs of niobium clusters of the type [Nb6Cl12(RCN)6][Nb6Cl18] (R=Et, nPr, iPr) with nitrile ligands RCN forming stabilizing inter-ionic contacts." Zeitschrift für Naturforschung B 75, no. 1-2 (2020): 173–81. http://dx.doi.org/10.1515/znb-2019-0177.

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AbstractThree new niobium cluster compounds with edge bridged, octahedral hexanuclear metal cores have been synthesised. They consist of cluster pairs with [Nb6Cl12(RCN)6]2+ cations, [Nb6Cl18]2− anions, and co-crystallised nitrile molecules, with R = C2H5 (propionitrile), nC3H7 (butyronitrile), iC3H7 (isobutyronitrile). The synthesis is based on the dehydration of [Nb6Cl14(H2O)4] · 4(H2O) with carboxylic acid anhydrides in the presences of an excess of the respective nitrile. An interesting aspect of these compounds is that the metal atoms of the cluster cation have an average oxidation state

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39

Gomathi, Jeganathan, and Doraisamyraja Kalaivani. "Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate." Acta Crystallographica Section E Crystallographic Communications 71, no. 11 (2015): o848—o849. http://dx.doi.org/10.1107/s205698901501912x.

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The title molecular salt, C6H8N+·C6H2N3O7−(systematic name: 2-methylpyridinium 2,4,6-trinitrophenolate), crystallizes with two cations and two anions in the asymmetric unit. In the crystal, the cations are linked to the anionsviabifurcated N—H...(O,O) hydrogen bonds, generatingR12(6) graph-set motifs. Numerous C—H...O hydrogen bonds are observed between these cation–anion pairs, which result in a three-dimensional network. In addition, weak aromatic π–π stacking between the 2-methylpyridinium rings [inter-centroid distance = 3.8334 (19) Å] and very weak stacking [inter-centroid distance = 4.02

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40

Leinemann, Malte, Inke Jess, Jan Boeckmann, and Christian Näther. "Crystal structure of tris(hydroxylammonium) orthophosphate." Acta Crystallographica Section E Crystallographic Communications 71, no. 11 (2015): i10—i11. http://dx.doi.org/10.1107/s2056989015018642.

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The crystal structure of the title salt, ([H3NOH]+)3·[PO4]3−, consists of discrete hydroxylammonium cations and orthophosphate anions. The atoms of the cation occupy general positions, whereas the anion is located on a threefold rotation axis that runs through the phosphorus atom and one of the phosphate O atoms. In the crystal structure, cations and anions are linked by intermolecular O—H...O and N—H...O hydrogen bonds into a three-dimensional network. Altogether, one very strong O—H...O, two N—H...O hydrogen bonds of medium strength and two weaker bifurcated N—H...O interactions are observed

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41

Tamaru, Yoshinao, and Masanari Kimura. "Palladium-catalyzed selective activation of allyl alcohols as allyl cations, allyl anions, and zwitterionic trimethylenemethanes." Pure and Applied Chemistry 80, no. 5 (2008): 979–91. http://dx.doi.org/10.1351/pac200880050979.

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Pd-Et3B catalytic system promotes the generation of allyl cations, allyl anions, and zwitterionic trimethylenemethane species from the corresponding allylic alcohols. Allyl cations react with a wide variety of nucleophiles, e.g., amines, active methylene compounds, 1,3,5-trihydroxybenzene, indoles, aldehydes (at the α-position). The reaction is extended to dehydrative Grob fragmentation of 1,3-diols. Allyl anions react with aldimines to give homoallyl amines. Zwitterionic trimethylenemethane, generated from 2-methylene-1,3-propanediol, reacts with aldehydes and aldimines to provide 3-methylene

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42

Singh, Navneet, Mrityunjay K. Jha, Harender S. Dhattarwal, and Hemant K. Kashyap. "How NaFTA salt affects the structural landscape and transport properties of Pyrr_1,3FTA ionic liquid." Journal of Chemical Physics 158, no. 10 (2023): 104502. http://dx.doi.org/10.1063/5.0133966.

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Recently, it has been demonstrated that ionic liquids (ILs) with an asymmetric anion render a wider operational temperature range and can be used as a solvent in sodium ion batteries. In the present study, we examine the microscopic structure and dynamics of pure 1-methyl-1-propylpyrrolidinium fluorosulfonyl(trifluoromethylsulfonyl)amide (Pyrr1,3FTA) IL using atomistic molecular dynamics simulations. How the addition of the sodium salt (NaFTA) having the same anion changes the structural landscape and transport properties of the pure IL has also been explored. The simulated x-ray scattering st

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43

Gueye, Ndongo, Libasse Diop, Kieran C. Molloy та Gabrielle Kociok-Köhn. "Dibenzylazanium (oxalato-κ2 O,O′)triphenylstannate(IV)". Acta Crystallographica Section E Structure Reports Online 68, № 6 (2012): m854—m855. http://dx.doi.org/10.1107/s1600536812021125.

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The title compound, (C14H16N)[Sn(C6H5)3(C2O2)], was synthesised by allowing C2O4(Bz2NH2)2 (Bz = benzyl) to react with SnPh3Cl. The asymmetric unit is built up by four SnPh3C2O4 anions and four Bz2NH2 cations which are related by a pseudo-inversion centre. Each SnIV cation is five-coordinated by the three phenyl groups and two O atoms belonging to the chelating oxalate ligand; the coordination geometry is that of a distorted trigonal bipyramid. Anions and cations are linked through N—H...O hydrogen bonds into a layer structure parallel to (001). Moreover, the anion–cation pairs are associated b

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44

Vranec, Peter, Ivan Potočňák, and Peter Repovský. "Low-dimensional compounds containing bioactive ligands. IV. Unusual ionic forms of 5-chloroquinolin-8-ol." Acta Crystallographica Section C Crystal Structure Communications 68, no. 12 (2012): m370—m376. http://dx.doi.org/10.1107/s0108270112047452.

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Bis(5-chloro-8-hydroxyquinolinium) tetrachloridopalladate(II), (C9H7ClNO)2[PdCl4], (I),catena-poly[dimethylammonium [[dichloridopalladate(II)]-μ-chlorido]], {(C2H8N)[PdCl3]}n, (II), ethylenediammonium bis(5-chloroquinolin-8-olate), C2H10N22+·2C9H5ClNO−, (III), and 5-chloro-8-hydroxyquinolinium chloride, C9H7ClNO+·Cl−, (IV), were synthesized with the aim of preparing biologically active complexes of PdIIand NiIIwith 5-chloroquinolin-8-ol (ClQ). Compounds (I) and (II) contain PdIIatoms which are coordinated in a square-planar manner by four chloride ligands. In the structure of (I), there is an

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45

Pan, Chun-Yang, Guo-Ming Wang, Shou-Tian Zheng, and Guo-Yu Yang. "Cyclohexane-1,4-diammonium tetrahydroxotetraborate 2.5-hydrate." Acta Crystallographica Section E Structure Reports Online 63, no. 3 (2007): o1207—o1209. http://dx.doi.org/10.1107/s1600536807005478.

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In the title compound, [C6H10(NH3)2]2+·[B4O5(OH)4]2−·2.5H2O, the asymmetric unit contains one anion, two half-cations and 2.5 water molecules. Each cation is centrosymmetric. In the crystal structure, the anions are connected to each other via hydrogen bonding, forming a three-dimensional framework with rectangular channels, which are occupied by the templating organic amine cations and guest water molecules.

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46

Jagan, R., D. Sathya, and K. Sivakumar. "A dihydrogen phosphate anionic network as a host lattice for cations in 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate) and 2-(pyridin-2-yl)pyridinium dihydrogen phosphate–orthophosphoric acid (1/1)." Acta Crystallographica Section C Structural Chemistry 71, no. 5 (2015): 374–80. http://dx.doi.org/10.1107/s2053229615006518.

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In the salt 1-methylpiperazine-1,4-diium bis(dihydrogen phosphate), C5H13N22+·2H2PO4−, (I), and the solvated salt 2-(pyridin-2-yl)pyridinium dihydrogen phosphate–orthophosphoric acid (1/1), C10H9N2+·H2PO4−·H3PO4, (II), the formation of O—H...O and N—H...O hydrogen bonds between the dihydrogen phosphate (H2PO4−) anions and the cations constructs a three- and two-dimensional anionic–cationic network, respectively. In (I), the self-assembly of H2PO4−anions forms a two-dimensional pseudo-honeycomb-like supramolecular architecture along the (010) plane. 1-Methylpiperazine-1,4-diium cations are trap

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47

Froschauer, Barbara, and Matthias Weil. "Melaminium hydrogen malonate." Acta Crystallographica Section E Structure Reports Online 68, no. 8 (2012): o2553—o2554. http://dx.doi.org/10.1107/s1600536812033016.

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The melaminium (2,4,6-triamino-1,3,5-triazin-1-ium) cation in the title compound, C3H7N6+·C3H3O4−, is essentially planar, with a r.m.s. deviation of the non-H atoms of 0.0085 Å. Extensive hydrogen bonding of the types N—H...N and N—H...O between cations and cations and between cations and hydrogen malonate (2-carboxyethanoate) anions leads to the formation of supramolecular layers parallel to (1-2-1). An intramolecular O—H...O hydrogen bond in the single deprotonated malonate anion also occurs.

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48

Liu, Dong-Sheng, Gan-Sheng Huang, Qiu-Yan Luo, Ya-Ping Xu та Xin-Fa Li. "Poly[tetramethylammonium [nitratouranyl-μ3-selenito]]". Acta Crystallographica Section E Structure Reports Online 62, № 7 (2006): m1584—m1585. http://dx.doi.org/10.1107/s1600536806022045.

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The title compound, (C4H12N)[UO2(NO3)(SeO3)], consists of uranyl complex anions and [NMe4]+ cations. Both cations and anions display mirror symmetry. Each UO2 unit is coordinated by three selenite dianions and one nitrate anion with a pentagonal–bipyramidal geometry, forming anionic ladder-like chains with charge-compensating [NMe4]+ cations intercalated between the chains.

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49

Wang, Xiao, Congyi Wu, and Dezhong Yang. "CO2 Absorption Mechanism by Diamino Protic Ionic Liquids (DPILs) Containing Azolide Anions." Processes 9, no. 6 (2021): 1023. http://dx.doi.org/10.3390/pr9061023.

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Protic ionic liquids have been regarded as promising materials to capture CO2, because they can be easily synthesized with an attractive capacity. In this work, we studied the CO2 absorption mechanism by protic ionic liquids (ILs) composed of diamino protic cations and azolide anions. Results of 1H nuclear magnetic resonance (NMR), 13C NMR, 2-D NMR and fourier-transform infrared (FTIR) spectroscopy tests indicated that CO2 reacted with the cations rather than with the anions. The possible reaction pathway between CO2 and azolide-based protic ILs is proposed, in which CO2 reacts with the primar

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50

Wölper, Christoph, Peter G. Jones та Armand Blaschette. "Polysulfonylamine, CLXXX [1]. Bis(triphenylphosphoranyliden)ammonium-di(methansulfonyl)amid: Eine Kristallstruktur mit CH/π-Wechselwirkungen zwischen Methylund Phenylgruppen / Polysulfonylamines, CLXXX [1]. Bis(triphenylphosphoranylidene)ammonium Di(methanesulfonyl)amide:A Crystal Structure Featuring Methyl-Phenyl CH/π Interactions". Zeitschrift für Naturforschung B 62, № 9 (2007): 1167–73. http://dx.doi.org/10.1515/znb-2007-0910.

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The structure of [Ph3PNPPh3][(MeSO2)2N] (monoclinic, P21/c, Z ' = 1; single-crystal X-ray diffraction at −140 °C) displays chains of relatively small anions, surrounded by four parallel columns of bulky cations, giving a rectangular array. In contrast to a previously reported series of onium dimesylamides with smaller cations, interanion hydrogen bonding CMe-H· · · O, originating from the inductively activated methyl groups, is not observed in the present structure. In consequence, the packing arrangement is determined by multiple phenyl embraces between cations, weak cation-anion hydrogen bon

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