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Journal articles on the topic 'Nanoworld, supramolecular chemistry, single molecules'

Author: Grafiati

Published: 4 June 2021

Last updated: 4 February 2022

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1

Michaelis, Jens, and Christoph Bräuchle. "Reporters in the nanoworld: diffusion of single molecules in mesoporous materials." Chemical Society Reviews 39, no. 12 (2010): 4731. http://dx.doi.org/10.1039/c0cs00107d.

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2

Silly, Fabien, Adam Q. Shaw, Kyriakos Porfyrakis, et al. "Grating of single Lu@C82 molecules using supramolecular network." Chemical Communications, no. 38 (2008): 4616. http://dx.doi.org/10.1039/b809004a.

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3

Jung, Su Hee, and Hee-Joon Kim. "Supramolecular functionalization of single-walled carbon nanotubes with uncharged water-soluble porphyrins." Journal of Porphyrins and Phthalocyanines 12, no. 02 (2008): 109–15. http://dx.doi.org/10.1142/s1088424608000145.

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We synthesized an uncharged water-soluble porphyrin, meso-tetrakis-(3,4,5-tri-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-phenyl)-porphyrin, to solubilize single-walled carbon nanotubes (SWNTs) in aqueous solutions through supramolecular interactions. The porphyrin-SWNTs composites in aqueous solution are stable for several weeks. The porphyrin-SWNTs composites in aqueous solution have been characterized by UV-vis absorption and fluorescence spectroscopy and with atomic force microscope (AFM). The fluorescence emitted from the porphyrin ring in the aqueous solution of the porphyrin-SWNTs composit

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4

Chu, Nien-Tzu, Rajan Deepan Chakravarthy, Nai-Chia Shih, et al. "Fluorescent supramolecular hydrogels self-assembled from tetraphenylethene (TPE)/single amino acid conjugates." RSC Advances 8, no. 37 (2018): 20922–27. http://dx.doi.org/10.1039/c8ra02296h.

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5

Haketa, Yohei, and Hiromitsu Maeda. "Supramolecular Assemblies of Dipyrrolyldiketone CuII Complexes." Molecules 26, no. 4 (2021): 861. http://dx.doi.org/10.3390/molecules26040861.

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Dipyrrolyldiketones are essential building units of anion-responsive π-electronic molecules and ion-pairing assemblies. Here, we demonstrated that they form complexes with CuII characterized by planar geometries. The solid-state stacking assembled structures, as revealed by single-crystal X-ray analysis, were modulated by the substitution of pyrrole units. The rectangular shapes of the CuII complexes resulted in the formation of mesophases upon introduction of aliphatic chains.

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6

Inglis, Ross, Giannis S. Papaefstathiou, Wolfgang Wernsdorfer, and Euan K. Brechin. "Ferromagnetic [Mn3] Single-Molecule Magnets and Their Supramolecular Networks." Australian Journal of Chemistry 62, no. 9 (2009): 1108. http://dx.doi.org/10.1071/ch09236.

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The complexes [MnIII3O(Et-sao)3(O2CPh(Cl)2)(MeOH)3(H2O)] (1), [MnIII3O(Et-sao)3(ClO4)(MeOH)3] (2), [MnIII3O(Et-sao)3(O2Ph(CF3)2)(EtOH)(H2O)3] (3), and [MnIII3O(Ph-sao)3(O2C-anthra)(MeOH)4]·Ph-saoH2 (4·Ph-saoH2) display dominant ferromagnetic exchange interactions leading to molecules with S = 6 ground states. The molecules are single molecule magnets (SMM) displaying large effective energy barriers for magnetization reversal. In each case their crystal structures reveal multiple intermolecular H-bonding interactions. Single crystal hysteresis loop measurements demonstrate that these interactio

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7

Tian, LiHong, ShiZhong Liu, NingHai Hu, and HengQing Jia. "Hydrothermal synthesis, crystal structure and electrochemical properties of a novel 3D Dawson-type polyoxometalate supramolecular network." Journal of Chemical Research 2008, no. 11 (2008): 626–29. http://dx.doi.org/10.3184/030823408x371218.

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A novel Dawson-type polyoxometalate supramolecular architecture of the formula [4,4′-H2bipy]2.5·[4,4′-Hbipy]·[P2W18O62]·6.25H2O (4,4′-bipy = 4,4′-bipyridine) has been hydrothermally synthesised and characterised by means of elemental analysis, IR, CV and X-ray single-crystal diffraction. X-ray crystallography indicates that the title compound consists of Dawson-type polyoxoaions [P2W18O62]6-, water molecules and 4,4′-bipy units. The polyoxoanion clusters together with 4,4′-bipy units and water molecules to construct the three-dimensional supramolecular network through hydrogen bonds. The cryst

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8

Abd El-Mageed, Ahmed I. A., and Takuji Ogawa. "Supramolecular structures of terbium(iii) porphyrin double-decker complexes on a single-walled carbon nanotube surface." RSC Advances 9, no. 48 (2019): 28135–45. http://dx.doi.org/10.1039/c9ra05818d.

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For the first time, using scanning probe microscopy, the supramolecular structures of terbium porphyrin double-decker complexes were observed on single-walled carbon nanotubes surfaces, where the molecules formed a well-ordered self-assembled array.

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9

Nesterov, Pavel V., Vladimir V. Shilovskikh, Alexander D. Sokolov, et al. "Encapsulation of Rhodamine 6G Dye Molecules for Affecting Symmetry of Supramolecular Crystals of Melamine-Barbiturate." Symmetry 13, no. 7 (2021): 1119. http://dx.doi.org/10.3390/sym13071119.

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Supramolecular organic systems can be used as a host for the encapsulation of small organic molecules. Here, we chose melamine barbiturate as a robust system capable of supramolecular assembly and the Rhodamine 6G dye entrapment as a guest molecule. The encapsulation of the dye was investigated by UV-visible spectroscopy, SEM and optical fluorescent microscopy while the insight into the crystal structure of the system was obtained by single crystal and powder XRD. For investigation of the system’s properties on a molecular level, the DFT and Classical Molecular Dynamics methods were utilized.

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10

Prigorchenko, Elena, Lukas Ustrnul, Victor Borovkov, and Riina Aav. "Heterocomponent ternary supramolecular complexes of porphyrins: A review." Journal of Porphyrins and Phthalocyanines 23, no. 11n12 (2019): 1308–25. http://dx.doi.org/10.1142/s108842461930026x.

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Porphyrins are prominent host molecules which are widely used due to their structural characteristics and directional interaction sites. This review summarizes non-covalently bound ternary complexes of porphyrins, constructed from at least three non-identical species. Progress in supramolecular chemistry allows the creation of complex molecular machinery tools, such as rotors, motors and switches from relatively simple structures in a single self-assembly step. In the current review, we highlight the collection of sophisticated molecular ensembles including sandwich-type complexes, cages, caps

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11

Eikeland, Espen, Solveig Madsen, Jacob Overgaard, Mark Spackman, and Bo Iversen. "Exploring Host-Guest Interactions: a Single Crystal High-Pressure study." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C756. http://dx.doi.org/10.1107/s2053273314092432.

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Single crystal X-ray diffraction data from several Hydroquinone clathrate systems, with various small guest molecules (e.g. HCOOH, MeOH), have been obtained up to a pressure of 10 GPa, using a diamond anvil cell (DAC). Hydroquinone clathrates are key examples of supramolecular aggregates, having a diverse structural chemistry controlled, to a large extent, by the detailed intermolecular interactions between the host and the guest molecules. Although supramolecular chemistry is the foundation for the design and development of advanced materials (e.g. for catalysis, targeted drug delivery, chemi

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12

Castellano, Eduardo E., Oscar E. Piro, Beatriz S. Parajón-Costa, and Enrique J. Baran. "Two New Supramolecular Assemblies Obtained by Reaction Between Saccharin and Long-chain Diamines." Zeitschrift für Naturforschung B 64, no. 9 (2009): 1041–45. http://dx.doi.org/10.1515/znb-2009-0908.

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The crystal structures of heptamethylenediammonium bis(saccharinate) monohydrate, [H3N - (CH2)7 -NH3](sac)2・H2O (1) and octamethylenediammonium bis(saccharinate) hemihydrate, [H3N- (CH2)8-NH3](sac)2・0.5H2O (2), were determined by single-crystal X-ray diffraction methods. Compound 1 crystallizes in the triclinic space group P1̄ with 2 molecules per unit cell, and 2 in the monoclinic space group P21/a with Z = 4. The saccharinate moiety is planar in both compounds presenting bonding characteristics comparable to those found in other saccharinate salts. The ionic crystals are further stabilized b

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13

Crişan, Cosmin Vasile, Albert Soran, Attila Bende, Niculina Daniela Hӑdade, Anamaria Terec, and Ion Grosu. "Synthesis, Structure and Supramolecular Properties of a Novel C3 Cryptand with Pyridine Units in the Bridges." Molecules 25, no. 17 (2020): 3789. http://dx.doi.org/10.3390/molecules25173789.

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The high-yield synthesis and the structural investigation of a new cryptand with C3 symmetry, exhibiting 2,4,6-triphenyl-1,3,5-triazine central units and pyridine-based bridges, are reported. The structure of the compound was investigated by single crystal X-ray diffractometry, NMR (nuclear magnetic resonance), HRMS (high resolution mass spectrometry) measurements, and theoretical calculations. The study of supramolecular behavior in solid state revealed the association of cryptand molecules by C-H---π and π---π contacts. Moreover, theoretical calculations indicated the high binding affinity o

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14

Kim, Hee-Joon, Hwa Jin Jo, Jaheon Kim, Soo-Young Kim, Dongwoo Kim, and Kimoon Kim. "Supramolecular self-assembly of tin(iv) porphyrin channels stabilizing single-file chains of water molecules." CrystEngComm 7, no. 68 (2005): 417. http://dx.doi.org/10.1039/b504841a.

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15

Wang, Yan-Jing, Ai-Quan Jia, Xing-Shun Chen, Hua-Tian Shi, and Qian-Feng Zhang. "Hydrogen-bonded assemblies of two organically templated borates: syntheses and crystal structures of [(1,10-phen)(H3BO3)2] and [2-EtpyH][(B5O6(OH)4]." Zeitschrift für Naturforschung B 70, no. 7 (2015): 467–73. http://dx.doi.org/10.1515/znb-2014-0277.

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AbstractTwo new organically templated borates, [(1,10-phen)(H3BO3)2] (1) and [2-EtpyH][(B5O6(OH)4] (2), were synthesized under mild solvothermal conditions and characterized by single-crystal X-ray diffraction, FT-IR, elemental analyses and thermogravimetry. Complex 1 is a co-crystal component in which B(OH)3 molecules form crinkled tapes via hydrogen bonds, which in turn are packed in a two-dimensional framework with 1,10-phen molecules sandwiched between the framework of crinkled chains. The structure of complex 2 is composed of 2-ethylpyridinium cations [2-EtpyH]+ and pentaborate anions [B5

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16

Tsuei, Michael, Manisha Shivrayan, Young-Ki Kim, S. Thayumanavan, and Nicholas L. Abbott. "Optical “Blinking” Triggered by Collisions of Single Supramolecular Assemblies of Amphiphilic Molecules with Interfaces of Liquid Crystals." Journal of the American Chemical Society 142, no. 13 (2020): 6139–48. http://dx.doi.org/10.1021/jacs.9b13360.

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17

Baran, Enrique J., Oscar E. Piro, and Juan Zinczuk. "A New Supramolecular Assembly Obtained by Reaction Between Thiosaccharin and Hexamethylenediamine." Zeitschrift für Naturforschung B 62, no. 12 (2007): 1530–34. http://dx.doi.org/10.1515/znb-2007-1210.

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The crystal structure of hexamethylenediammonium bis(thiosaccharinate) dihydrate, [H3N-(CH2)6-NH3](tsac)2 · 2H2O (tsac=C7H4NO2S2, the anion of thiosaccharin), was determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group P21/a with Z = 4. The thiosaccharinate moiety is planar and shows small but significant modifications in the bonding of the thioamide functional group as compared with the protonated neutral molecule. The ionic crystal is further stabilized by an extensive H-bonding network, which links the anions and cations into an infinite three-dimension

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18

Zhao, Qing, Ying-Qi Pan, Xiao-Yan Li, Han Zhang, and Wen-Kui Dong. "A heterotrimetallic Ni(II)–Dy(III) bis(salamo)-based complex: synthesis, structure and fluorescent property." Zeitschrift für Naturforschung B 73, no. 5 (2018): 281–88. http://dx.doi.org/10.1515/znb-2017-0214.

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AbstractA discrete heterotrinuclear complex [{Ni2LDy(OAc)3(CH3OH)}2] · 2CH3OH · 3CH2Cl2, with a naphthalenediol-based acyclic bis(salamo) ligand H4L, has been synthesized and structurally characterized using elemental analyses, IR, UV/Vis and fluorescence spectra and single crystal X-ray diffraction. The crystal structure shows two crystallographically independent but chemically identical molecules (molecules I and II). All the Ni(II) atoms are hexa-coordinated with slightly distorted octahedral geometries. The central Dy atoms are nona-coordinated with slightly distorted tricapped trigonal pr

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19

Chen, Gang. "Structure and Fluorescence Properties of a Novel Supramolecular Zinc Complex." Zeitschrift für Naturforschung B 63, no. 12 (2008): 1357–60. http://dx.doi.org/10.1515/znb-2008-1203.

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Hydrothermal reaction of Zn(NO3)2 · 6H2O and 2-hydroxypyridine-3-carboxylic acid afforded a novel supramolecular complex, [Zn(C6H4NO3)2(H2O)2] (1). The complex has been characterized by macroanalysis, IR spectra, and thermogravimetric and differential thermal analysis (TG/DTA). Single crystal X-ray analysis shows that complex 1 crystallizes in the monoclinic space group P21/c with the cell dimensions a = 7.534(6), b = 12.289(1), c = 7.534(6) Å, β = 100.51°, V = 685.85(1) Å3, and Z = 2. The six-coordinated Zn atom is in a severely distorted octahedral geometry. The complex molecules are assembl

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20

Frey, Guido D., and Eberhardt Herdtweck. "Crystal and Molecular Structure of 3-(N-Methoxy-N-methylcarbamoyl)- 2,2,5,5-tetramethyl-1-oxy-pyrroline." Zeitschrift für Naturforschung B 65, no. 4 (2010): 475–78. http://dx.doi.org/10.1515/znb-2010-0406.

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The crystal structure of the stable nitroxide radical 3-(N-methoxy-N-methylcarbamoyl)-2,2,5,5- tetramethyl-1-oxy-pyrroline was determined from single-crystal X-ray data: orthorhombic, space group Pbca (no. 61), a = 9.0213(1), b = 12.8625(1), c = 21.2406(2) Å, V = 2464.68(4) Å3 and Z = 8. The adjacent molecules assemble to a supramolecular layer structure in the solid state, linked by two intermolecular C-H...O hydrogen bonds.

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21

Yilmaz, Veysel T., Sevim Hamamci, and Orhan Büyükgüngör. "Synthesis and Characterization of Silver(I) Saccharinate Complexes with Pyrazole and Imidazole Ligands: [Ag(sac)(pz)(H2O)]n and [Ag(sac)(im)] · 2H2O." Zeitschrift für Naturforschung B 61, no. 2 (2006): 189–93. http://dx.doi.org/10.1515/znb-2006-0212.

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AbstractTwo new silver(I) saccharinate (sac) complexes, [Ag(sac)(pz)(H2O)]n (1) and [Ag(sac)(im)]·2H2O (2) (pz = pyrazole and im = imidazole), have been prepared and characterized by elemental analysis, IR spectroscopy, thermal analysis and single crystal X-ray diffraction. Complexes 1 and 2 crystallize in the monoclinic space group P21/c and triclinic space group P1̅, respectively. The sac, pz and im ligands all are N-coordinated. In 1, the [Ag(sac)(pz)] units are bridged by aqua ligands to generate a one-dimensional helical chain, in which the silver(I) ions exhibit a distorted square-planar

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22

Xua, Xiuhong, Qilin Caob, Fang Luo, and Guang Wang. "Synthesis and Crystal Structure of the Bimetallic Complex [Fe(phen)3]2[phen][V4O12]·19H2O." Zeitschrift für Naturforschung B 63, no. 12 (2008): 1352–56. http://dx.doi.org/10.1515/znb-2008-1202.

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A new bimetallic complex, [Fe(phen)3]2[phen][V4O12]·19H2O (1) has been obtained under nonhydrothermal conditions and characterized by single-crystal X-ray diffraction, IR and TG analysis. Crystal data: Fe2V4O31N14C84H94, triclinic, P1̄̄, a = 12.920(5), b = 17.833(5), c = 23.420(5) Å , α = 107.119(5)°, β = 90.643(5)°, γ = 107.643(5)°, Z = 2. In compound 1, water molecules build up 1D chains and decameric rings by hydrogen bonds. The hydrogen bond interactions between decameric rings and 1D chains form a 2D supramolecular sheet with large holes. The [V4O12]4− anions fill these holes. The [Fe(phe

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23

Wolfram, Benedikt, Çağla Baş, Christian Kleeberg, and Martin Bröring. "Interaction of manganese corroles with TCNQ and related acceptor molecules." Journal of Porphyrins and Phthalocyanines 24, no. 05n07 (2020): 705–11. http://dx.doi.org/10.1142/s1088424619501359.

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Manganese corroles with the Mn atom in the oxidation states +III and +IV have been probed as donor moieties for supramolecular stacked donor–acceptor complexes with the typical acceptor units TCNQ (tetracyanoquinone), TCNP (tetracyanopyrazine), and TCNB (tetracyanobenzene). Four new compounds formed as single crystals from different co-crystallization attempts. In those cases where a Mn(III) corrole was used as the donor component, hydrolyzed and/or oxygenated compounds [(cor)Mn(TCNQ*)] and [(cor*)Mn(TCNP*)] were obtained as the exclusive products. With chloridomanganese(IV) corroles, sandwich

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24

Gomathi, V., and C. Theivarasu. "Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 75, no. 3 (2019): 449–58. http://dx.doi.org/10.1107/s205252061900252x.

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Oxydiacetic acid (Oda) and iminodiacetic acid (Ida) have been combined with two diamines, namely ethylenediamine (en) and o-phenylenediamine (o-phen), to give three molecular crystals of compositions [(Oda2−)(en2+)]·H2O (Odaen), [(Ida−)(0.5en+)] (Idaen) and [(Oda−)(o-phen+)] (Odaophen). Single crystal X-ray structure determination of the three molecular salts revealed that the hydrogen bonding interactions form distinct supramolecular chains. In Odaen, water molecules and Oda2− anions generate one-dimensional supramolecular chains where two chains overlap each other in zigzag form. In Odaophen

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25

Li, Tao, Hai-bin He, Mao-Sheng Jiang, Ming-Jie Huang та Xiang-Yang Cai. "Reliability of π–π Stacking Interactions in Crystal Engineering: Synthesis and Structure of a Hemidirected Lead Complex". Journal of Chemical Research 2008, № 10 (2008): 578–80. http://dx.doi.org/10.3184/030823408x361084.

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A new three-dimensional polymeric supramolecular PbII complex, {[Pb3(bpy)3(ip)3](H2O)}n, (bpy = 2,2′-bipyridine and ip = isophthalate), has been synthesised and characterised. Single-crystal analysis shows that {[Pb3(bpy)3(ip)3](H2O)}n contains a one-dimensional chain polymeric framework and all the Pb centres with a coordination number of six possess an electron lone pair. The coordination sphere is hemidirected which gives a highly distorted geometry. The arrangement of O- and N- atoms towards Pb atoms suggests a gap or hole in the coordination geometry around these atoms. Moreover, there ar

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26

Jeon, Hui Bin, Sehoon Park, Kyeong Rim Ryu, et al. "In situ reversible tuning of chemical interface damping in single gold nanorod-based recyclable platforms through manipulation of supramolecular host–guest interactions." Chemical Science 12, no. 20 (2021): 7115–24. http://dx.doi.org/10.1039/d1sc01204e.

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This study has paved a new route to achieve in situ reversible tuning of chemical interface damping (CID) in the same gold nanorod (AuNR) and to investigate the CID process using cucurbituril (CB)-based host–guest chemistry with various guest molecules in single AuNRs.

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27

Rayes, Ali, Stephany Zárate-Roldán, Irene Ara, et al. "Single-Crystal-to-Single-Crystal Transformation and Catalytic Properties of New Hybrid Perhalidometallates." Catalysts 11, no. 7 (2021): 758. http://dx.doi.org/10.3390/catal11070758.

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Two new organic–inorganic salts of perhalidometallates with protonated organic amine cations have been synthesized and characterized by X-ray diffraction and thermal analysis. (CHBMAH2)ZnBr4·3/2H2O 1 and (CHBMAH2)ZnCl4 4 [(CHBMAH2)2+: 1,3-cyclohexanebis(methylammonium)] were obtained in single-crystal form. The crystal packing in all of the obtained compounds is governed by the formation of various non-covalent intermolecular forces between tetrahalidometallate anions and organic cations, assisted by water molecules in the hydrates. Hirshfeld surface analysis denotes that the most important co

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28

Ejarque, Daniel, Teresa Calvet, Mercè Font-Bardia та Josefina Pons. "Construction of Zn(II) Linear Trinuclear Secondary Building Units from A Coordination Polymer Based on α-Acetamidocinnamic Acid and 4-Phenylpyridine". Molecules 25, № 16 (2020): 3615. http://dx.doi.org/10.3390/molecules25163615.

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The synthesis and characterization of one coordination polymer and two trinuclear complexes are presented. The coordination polymer [Zn2(µ-O,O’-ACA)2(ACA)2(4-Phpy)2]n (1) has been obtained by the reaction between Zn(OAc)2·2H2O, α-acetamidocinnamic acid (HACA), and 4-phenylpyridine (4-Phpy) using EtOH as solvent. Its recrystallization in CH3CN or EtOH yields two trinuclear complexes, both having pinwheel arrays with formulas [Zn3(µ-ACA)6(4-Phpy)2]·4CH3CN (2·4CH3CN) and [Zn3(µ-ACA)6(EtOH)2]·4EtOH (3·4EtOH), respectively. These trinuclear species, unavoidably lose their solvent co-crystallized mo

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29

Förster, Sebastian, Wilhelm Seichter, and Edwin Weber. "Synthesis and Structures of Three- and Hexa-armed Benzene Derivatives Featuring Lateral Benzoic Ester and Benzoic Acid Functions." Zeitschrift für Naturforschung B 66, no. 9 (2011): 939—s949. http://dx.doi.org/10.1515/znb-2011-0912.

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The new 1,3,5-tri-substituted and hexa-substituted benzoic methyl esters 1, 3 and benzoic acids 2, 4 have been synthesized. Single-crystal structure determinations of 1 - 3 are reported, which show specific molecular conformations and packings in the crystal. In all structures, the conformation of the molecules deviates considerably from threefold and sixfold symmetry, respectively. Columnar packings are observed in the crystal structures of the esters 1 and 3, stabilized by weak C-H・・・O and C-H・・・π interactions, while the packing of 2 features the formation of supramolecular strands involving

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30

Sifaki, Kleanthi, Nadiia I. Gumerova, Gerald Giester, and Annette Rompel. "Synthesis and characterization of the Anderson–Evans tungstoantimonate [Na5(H2O)18{(HOCH2)2CHNH3}2][SbW6O24]." Acta Crystallographica Section C Structural Chemistry 77, no. 7 (2021): 420–25. http://dx.doi.org/10.1107/s2053229621006239.

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A novel tungstoantimonate, [Na5(H2O)18{(HOCH2)2CHNH3}2][SbVWVI 6O24] (SbW6 ), was synthesized from an aqueous solution and structurally characterized by single-crystal X-ray diffraction, which revealed C2/c symmetry. The structure contains two serinol [(HOCH2)2CHNH3]+ and five Na+ cations, which are octahedrally surrounded by 18 water molecules, and one [SbVWVI 6O24]7− anion. The serinol molecules also play a critical role in the synthesis by acting as a mild buffering agent. Each of the WVI and SbV ions is six-coordinated and displays a distorted octahedral motif. A three-dimensional supramol

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Seth, Saikat. "The Importance of CH···X (X = O, π) Interaction of a New Mixed Ligand Cu(II) Coordination Polymer: Structure, Hirshfeld Surface and Theoretical Studies". Crystals 8, № 12 (2018): 455. http://dx.doi.org/10.3390/cryst8120455.

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In this study, a new equimolar (1:1:1) mixed ligand Cu(II) polymer, [Cu(IDA)(ImP)]n (1) with iminodiacetato (IDA) and imidazo[1,2-a]-pyridine (ImP) was synthesized and characterized by single crystal X-ray diffraction analysis. X-ray crystallography reveals that compound (1) consists of polymeric zigzag chain along [010] the carboxylate carbonyl oxygen atom by two-fold symmetry screw axis. The solid-state structure is stabilized through C–H···O hydrogen bonds and C–H···π interactions that lead the molecules to generate two-dimensional supramolecular assemblies. The intricate combinations of hy

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32

Günther, Lisa M., Jasper Knoester, and Jürgen Köhler. "Limitations of Linear Dichroism Spectroscopy for Elucidating Structural Issues of Light-Harvesting Aggregates in Chlorosomes." Molecules 26, no. 4 (2021): 899. http://dx.doi.org/10.3390/molecules26040899.

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Linear dichroism (LD) spectroscopy is a widely used technique for studying the mutual orientation of the transition-dipole moments of the electronically excited states of molecular aggregates. Often the method is applied to aggregates where detailed information about the geometrical arrangement of the monomers is lacking. However, for complex molecular assemblies where the monomers are assembled hierarchically in tiers of supramolecular structural elements, the method cannot extract well-founded information about the monomer arrangement. Here we discuss this difficulty on the example of chloro

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Armelao, Lidia, Alice Carlotto, Federica Mian, Jacopo Tessarolo, Gregorio Bottaro, and Marzio Rancan. "Easy but not straightforward: base and solvent effect on the synthesis of luminescent europium 1,3-di(thien-2-yl)propane-1,3-dionate coordination complexes." Canadian Journal of Chemistry 95, no. 11 (2017): 1183–90. http://dx.doi.org/10.1139/cjc-2017-0200.

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Reaction between EuCl3 and the ligand 1,3-di(thien-2-yl)propane-1,3-dione (L) leads to luminescent coordination compounds [EuL3(EtOH)2] (1), [EuL2(i-PrOH)4]Cl (2) and [EuL3(i-PrOH)2] (3), isolated as single crystals in high yield (70%–95%). The Eu/β-diketonate ratio is tuned from 1:2 to 1:3 through the variation of the alcoholic solvent (ethanol and isopropanol) or the base (pyridine and NaOH). In all compounds, Eu3+ ions are eight-coordinated, and in 2, the molecules are arranged in an H-bond supported supramolecular 1D chain. These compositional and structural differences are reflected also

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Li, Ruo-Yan, Xiao-Xin An, Juan-Li Wu, You-Peng Zhang, and Wen-Kui Dong. "An Unexpected Trinuclear Cobalt(II) Complex Based on a Half-Salamo-Like Ligand: Synthesis, Crystal Structure, Hirshfeld Surface Analysis, Antimicrobial and Fluorescent Properties." Crystals 9, no. 8 (2019): 408. http://dx.doi.org/10.3390/cryst9080408.

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An unexpected trinuclear Co(II) complex, [Co3(L2)2(μ-OAc)2(CH3OH)2]·2CH3OH (H2L2 = 4,4′-dibromo-2,2′-[ethylenedioxybis(nitrilomethylidyne)]diphenol) constructed from a half-Salamo-based ligand (HL1 = 2-[O-(1-ethyloxyamide)]oxime-4-bromophenol) and Co(OAc)2·4H2O, has been synthesized and characterized by elemental analyses, infrared spectra (IR), UV-Vis spectra, X-ray crystallography and Hirshfeld surface analysis. The Co(II) complex contains three Co(II) atoms, two completely deprotonated (L2)2− units, two bridged acetate molecules, two coordinated methanol molecules and two crystalline methan

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Makoudi, Younes, Judicaël Jeannoutot, Frank Palmino, et al. "Supramolecular self-assembly on the B-Si(111)-(√3x√3) R30° surface: From single molecules to multicomponent networks." Surface Science Reports 72, no. 4 (2017): 316–49. http://dx.doi.org/10.1016/j.surfrep.2017.06.001.

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Burt, Luke A., C. Grazia Bezzu, Charlie J. McMonagle, Stephen A. Moggach, and Neil B. McKeown. "A hindered subphthalocyanine that forms crystals with included aromatic solvent but will not play ball with C60." Journal of Porphyrins and Phthalocyanines 20, no. 08n11 (2016): 1034–40. http://dx.doi.org/10.1142/s1088424616500528.

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A novel subphthalocyanine containing bulky substituents placed at its peripheral sites (i.e. 2,3,9,10,16,17-hexa(2′,6′-di-iso-propylphenoxy)boron subphthalocyanine) was prepared and assessed for supramolecular binding with C[Formula: see text], through crystallisation and fluorescence studies. Three different crystal polymorphs of the subphthalocyanine were obtained that showed inclusion of a single aromatic solvent molecule within the well-defined cavity of the molecule but complete exclusion of C[Formula: see text]. Analysis of the crystal structures indicated that the bowl-shaped cavity of

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Huang-Fu, You-Jing, Hui Pan, Xi-Cai Hao, Yan Bai, and Dong-Bin Dang. "Hydrothermal Synthesis and Crystal Structure of a One-dimensional Cobalt (II) Coordination Polymer with Two Organic Ligands." Zeitschrift für Naturforschung B 69, no. 6 (2014): 699–703. http://dx.doi.org/10.5560/znb.2014-3342.

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A new Co(II) coordination polymer [Co(Hdpa)2(dpdo)(H2O)2] (1) (H2dpa=2,2`-biphenyldicarboxylic acid, dpdo=4,4`-bipyridine-N,N`-dioxide) has been synthesized and characterized by IR and UV=Vis spectroscopy, elemental analysis, and single-crystal X-ray structure analysis. The Co(II) atom has a distorted octahedral coordination environment with a set of oxygen donors from two Hdpa- ligands, two dpdo ligands and two coordinated water molecules. Adjacent cobalt centers are bridged by dpdo ligands thereby generating a chain. In the solid state, the chains further interact with each other and form a

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Tverdislov, Vsevolod A., and Ekaterina V. Malyshko. "Chiral Dualism as an Instrument of Hierarchical Structure Formation in Molecular Biology." Symmetry 12, no. 4 (2020): 587. http://dx.doi.org/10.3390/sym12040587.

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The origin of chiral asymmetry in biology has attracted the attention of the research community throughout the years. In this paper we discuss the role of chirality and chirality sign alternation (L–D–L–D in proteins and D–L–D–L in DNA) in promoting self-organization in biology, starting at the level of single molecules and continuing to the level of supramolecular assemblies. In addition, we also discuss chiral assemblies in solutions of homochiral organic molecules. Sign-alternating chiral hierarchies created by proteins and nucleic acids are suggested to create the structural basis for the

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Aakeröy, Christer B., Christine L. Spartz, Sean Dembowski, Savannah Dwyre, and John Desper. "A systematic structural study of halogen bondingversushydrogen bonding within competitive supramolecular systems." IUCrJ 2, no. 5 (2015): 498–510. http://dx.doi.org/10.1107/s2052252515010854.

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As halogen bonds gain prevalence in supramolecular synthesis and materials chemistry, it has become necessary to examine more closely how such interactions compete with or complement hydrogen bonds whenever both are present within the same system. As hydrogen and halogen bonds have several fundamental features in common, it is often difficult to predict which will be the primary interaction in a supramolecular system, especially as they have comparable strength and geometric requirements. To address this challenge, a series of molecules containing both hydrogen- and halogen-bond donors were co

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Kletskov, Alexey V., Diego M. Gil, Antonio Frontera, et al. "Intramolecular sp2-sp3 Disequalization of Chemically Identical Sulfonamide Nitrogen Atoms: Single Crystal X-Ray Diffraction Characterization, Hirshfeld Surface Analysis and DFT Calculations of N-Substituted Hexahydro-1,3,5-Triazines." Crystals 10, no. 5 (2020): 369. http://dx.doi.org/10.3390/cryst10050369.

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In this manuscript, the synthesis and single crystal X-ray diffraction characterization of four N-substituted 1,3,5-triazinanes are reported along with a detailed analysis of the noncovalent interactions observed in the solid state architecture to these compounds, focusing on C–H···π and C–H···O H-bonding interactions. These noncovalent contacts have been characterized energetically by using DFT calculations and also by Hirshfeld surface analysis. In addition, the supramolecular assemblies have been characterized using the quantum theory of “atoms-in-molecules” (QTAIM) and molecular electrosta

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Chen, Xiang-Min, De-Song Wang, Qing-Zhi Luo, and Ran Wang. "A Polyoxometalate-templated Inorganic-Organic Hybrid Compound Containing a Crown-like Metallamacrocyclic Cation [Ag6(1,2,4-triazole)6]6+." Zeitschrift für Naturforschung B 63, no. 5 (2008): 489–95. http://dx.doi.org/10.1515/znb-2008-0502.

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A new polyoxometalate(POM)-templated inorganic-organic hybrid compound, [Ag6(trz)6]- [PMo12O40]2 ・ 6H2O (1) (trz = 1,2,4-triazole) has been prepared under hydrothermal conditions and characterized by single-crystal X-ray diffraction, elemental analyses, IR spectroscopy, thermogravimetric analysis and cyclic voltammetry. In compound 1, six Ag+ ions are linked by six trz molecules to give a hexanuclear [Ag6(trz)6]6+ cycle. The six trz molecules are not co-planar, but adopt a crown-like shape. Cavities, with sizes of about 7.706×7.706 Å2, are found with the hexanuclear cycles packed along the c a

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Plasseraud, Laurent, Hélène Cattey та Philippe Richard. "Self-assembly Through Non-coordinating Intermolecular Forces, Part 2 [1]. Synthesis, Crystal Structure and Packing of [Cu2(μ-phthalazine)3(phthalazine)2][CF3SO3]2". Zeitschrift für Naturforschung B 63, № 10 (2008): 1169–74. http://dx.doi.org/10.1515/znb-2008-1005.

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Abstract Treatment of the copper(I) trifluoromethanesulphonate toluene complex {[Cu(CF3SO3)]2 · C6H5Me} (1) with phthalazine (phtz, C8H6N2) in dichloromethane-acetonitrile solution yielded, via the bis(acetonitrile)tris(μ-phthalazine)dicopper(I) trifluoromethanesulphonate intermediate (2), the novel bis(phthalazine)tris(μ-phthalazine)dicopper(I) trifluoromethanesulphonate salt (3). Compound 3 was completely characterised and the molecular structure determined by single-crystal X-ray diffraction. Complex 3 crystallises in the monoclinic system, space group C2/c, with a = 26.9527(10), b = 10.955

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Mirzaei, Masoud, Hossein Eshtiagh-Hosseini, Azam Hassanpoor, and Victor Barba. "X-ray structure of 1D-coordination polymer of copperII bearing 1,4-pyrazine-2,3-dicarboxylic acid and 2-aminopyrimidine." Journal of the Serbian Chemical Society 77, no. 1 (2012): 67–73. http://dx.doi.org/10.2298/jsc101115153m.

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The new 1D-coordination polymer of CuII ion, {(2- apymH)2[Cu(pyzdc)2] .6H2O}n, (2-apym = 2-aminopyrimidine, pyzdcH2 = 1,4- pyrazine-2,3-dicarboxylic acid), was synthesized based on proton transfer mechanism and characterized by elemental analysis, infrared spectroscopy, and single crystal X-ray diffraction. The coordination polymer consists of infinite anionic chains of [Cu(pyzdc)2]2- anion bridged crossing double chain running along a-axis and discrete (2-apymH)+ fragment. The CuII ion is located on inversion centre in the basal plane of an elongated octahedron and two oxygen atoms from adjac

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Canossa, Stefano, Claudia Graiff, Domenico Crocco, and Giovanni Predieri. "Water Structures and Packing Efficiency in Methylene Blue Cyanometallate Salts." Crystals 10, no. 7 (2020): 558. http://dx.doi.org/10.3390/cryst10070558.

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Crystal structure prediction is the holy grail of crystal engineering and is key to its ambition of driving the formation of solids based on the selection of their molecular constituents. However, this noble quest is hampered by the limited predictability of the incorporation of solvent molecules, first and foremost the ubiquitous water. In this context, we herein report the structure of four methylene blue cyanometallate phases, where anions with various shapes and charges influence the packing motif and lead to the formation of differently hydrated structures. Importantly, water molecules ar

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Xu, Xiaowen, Richard Hoogenboom, and Kristof Van Hecke. "Crystal structures of three N-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry." Acta Crystallographica Section E Crystallographic Communications 77, no. 9 (2021): 958–64. http://dx.doi.org/10.1107/s2056989021008562.

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The synthesis and single-crystal X-ray structures of three N-(pyridine-2-carbonyl)pyridine-2-carboxamide imides, with or without F atoms on the 3-position of the pyridine rings are reported, namely, N-(pyridine-2-carbonyl)pyridine-2-carboxamide, C12H9N3O2 (1), N-(3-fluoropyridine-2-carbonyl)pyridine-2-carboxamide, C12H8FN3O2 (2), and 3-fluoro-N-(3-fluoropyridine-2-carbonyl)pyridine-2-carboxamide, C12H7F2N3O2 (3). The above-mentioned compounds were synthesized by a mild, general procedure with an excellent yield, providing straightforward access to symmetrical and/or asymmetrical heterocyclic u

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Zhong, Kai-Long, Wei Song, Chao Ni, and Guo-Qing Cao. "A new one-dimensional Cd(II) coordination polymer with a two-dimensional supramolecular architecture: synthesis, structural characterization and fluorescence properties." Zeitschrift für Naturforschung B 74, no. 4 (2019): 341–45. http://dx.doi.org/10.1515/znb-2018-0243.

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AbstractA new coordination polymer [Cd(C10H8N2)2 (C10H4O8)]n (C10H8N2 = 2,2′-bipyridine and C10H4O8 = 2,5-dicarboxybenzene-1,4-dicarboxylate) has been hydrothermally synthesized and characterized by elemental analysis, infrared spectroscopy, thermal gravimetric analysis and single-crystal X-ray diffraction. Crystal structural analysis reveals that the CdII cation is coordinated by two 2,5-dicarboxybenzene-1,4-dicarboxylate ligands and two 2,2′-bipyridine molecules, forming a distorted octahedral CdN4O2 coordination geometry. The 2,5-dicarboxybenzene-1,4-dicarboxylate ligands link the CdII cati

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Wang, Xian-Wen, Fu-Ping Chen, Liang Chen, and Jing-Zhong Chen. "Crystal Structure and Fluorescence Properties of a New Ternary Binuclear Complex: Sm2(C3H3O2)6(phen)2." Zeitschrift für Naturforschung B 62, no. 10 (2007): 1267–70. http://dx.doi.org/10.1515/znb-2007-1006.

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A new ternary mixed ligand dinuclear samarium(III) complex, Sm2(C3H3O2)6(phen)2 (1) (C3H3O2 = acrylate; phen = 1,10-phenathroline), has been synthesized and characterized by microanalysis, IR and UV/vis spectra and single crystal X-ray diffraction. Compound 1 crystallizes in the triclinic space group P1̅ with cell parameters: a = 9.6687(19), b = 10.690(2), c = 10.799(2) Å , α = 105.50(3), β = 106.67(3), γ = 91.59(3)°, V = 1023.8(3) Å3. The Sm(III) cations are bridged by four acrylate anions into a dinuclear molecular unit. The nine-coordinate Sm(III) atoms adopt a significantly distorted monoc

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Wheatley, Paul S., Alan J. Lough, George Ferguson, Colin J. Burchell, and Christopher Glidewell. "Ethane-1,2-diphosphonic acid as a building block in supramolecular chemistry; a pillared-layer framework and framework-encapsulated cations." Acta Crystallographica Section B Structural Science 57, no. 1 (2001): 95–102. http://dx.doi.org/10.1107/s0108768100014841.

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The 1:1 adduct of piperazine and ethane-1,2-diphosphonic acid is a salt [C4H12N2]2+·[C2H6O6P2]2−, in which both ions lie across centres of inversion in space group P21/c. The anions are linked by a single type of O—H...O hydrogen bond [O...O, 2.562 (3) Å; H...O, 1.73 Å, O—H...O, 169°] into (6, 3) nets built from a single type of R^4_4(22) ring. The cations lie between these nets, linked to them by two types of N—H...O hydrogen bond [N...O, 2.635 (3) and 2.735 (3) Å; H...O 1.72 and 1.82 Å, N—H...O, 175 and 177°] such that the cations link adjacent sheets, thus forming a pillared-layer framework

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SONG, SHAOTANG, JIE SU, XINNAN PENG, XINBANG WU, and MYKOLA TELYCHKO. "RECENT ADVANCES IN BOND-RESOLVED SCANNING TUNNELING MICROSCOPY." Surface Review and Letters 28, no. 08 (2021): 2140007. http://dx.doi.org/10.1142/s0218625x21400072.

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Recent advances in bond-resolved scanning tunneling microscopy (BRSTM) have demonstrated the tremendous potential of this characterization technique to attain an ultra-high spatial resolution at the level of a single chemical bond. Due to such a unique ability to visualize chemical bonds, BRSTM has been recognized as a valuable characterization tool in the rapidly developing field of on-surface chemistry. In this paper, we discuss the recent experimental advances in BRSTM imaging techniques and their applications in the characterization of a wide scope of functional nanostructures, including i

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Kenfack Tsobnang, Patrice, Emmanuel Wenger, Coralie Biache, et al. "Two-dimensionally stacked heterometallic layers hosting a discrete chair dodecameric ring of water clusters: synthesis and structural study." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 70, no. 5 (2014): 900–902. http://dx.doi.org/10.1107/s2052520614019921.

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The stacked two-dimensional supramolecular compoundcatena-{Co(amp)3Cr(ox)3·6H2O} (amp = 2-picolylamine, ox = oxalate) has been synthesized from the bimolecular approach using hydrogen bonds. It is built from layers in which both Co(amp)3+(D) and Cr(ox)3−(A) ions are bonded in a repeatingDADADA… pattern along theaandcaxes by multiple hydrogen bonds. These layers host a well resolvedR12 dodecameric discrete ring of water clusters built by six independent molecules located around the2ccentrosymmetric Wyckoff positions of theP21/nspace group in which the compound crystallizes. These clusters are r

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