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Journal articles on the topic 'Halogen acid'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Grabowski, Sławomir J. "A–X⋯σ Interactions—Halogen Bonds with σ-Electrons as the Lewis Base Centre". Molecules 26, № 17 (2021): 5175. http://dx.doi.org/10.3390/molecules26175175.

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CCSD(T)/aug-cc-pVTZ//ωB97XD/aug-cc-pVTZ calculations were performed for halogen-bonded complexes. Here, the molecular hydrogen, cyclopropane, cyclobutane and cyclopentane act as Lewis base units that interact through the electrons of the H–H or C–C σ-bond. The FCCH, ClCCH, BrCCH and ICCH species, as well as the F2, Cl2, Br2 and I2 molecular halogens, act as Lewis acid units in these complexes, interacting through the σ-hole localised at the halogen centre. The Quantum Theory of Atoms in Molecules (QTAIM), the Natural Bond Orbital (NBO) and the Energy Decomposition Analysis (EDA) approaches wer

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2

Matsuo, Kazuki, Tadashi Yoshitake, Eiji Yamaguchi та Akichika Itoh. "Photoinduced Atom Transfer Radical Addition/Cyclization Reaction between Alkynes or Alkenes with Unsaturated α-Halogenated Carbonyls". Molecules 26, № 22 (2021): 6781. http://dx.doi.org/10.3390/molecules26226781.

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We have developed a photochemical ATRA/ATRC reaction that is mediated by halogen bonding interactions. This reaction is caused by the reaction of malonic acid ester derivatives containing bromine or iodine with unsaturated compounds such as alkenes and alkynes in the presence of diisopropylethylamine under visible light irradiation. As a result of various control experiments, it was found that the formation of complexes between amines and halogens by halogen-bonding interaction occurs in the reaction system, followed by the cleavage of the carbon–halogen bonds by visible light, resulting in th

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3

Tan, Yi Lun, Liu Sun, Si Chun Shao, Jin Peng Fu, and Zhi Han Peng. "Synthesis and Characterization of Melamine Halogen Acid Salts and its Application as Flame Retardant." Advanced Materials Research 750-752 (August 2013): 1087–90. http://dx.doi.org/10.4028/www.scientific.net/amr.750-752.1087.

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In this paper, a series of novel halogen compounds, melamine halogen acid salts were directly synthesized by melamine and halogen acid in water phase. The chemical structures of melamine halogen acid salts were characterized by Fourier-transform infrared spectroscopy (FT-IR), elemental analysis and1H-NMR. Meanwhile, the thermal properties of compounds were investigated by thermogravimetric analysis (TGA). The TGA results showed that melamine halogen acid salts had good thermostability during polymer processing. Futhermore, limiting oxygen index (LOI) and vertical burning test were used to stud

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4

Capozzi, Maria Annunziata M., Angel Alvarez-Larena, Joan F. Piniella Febrer, and Cosimo Cardellicchio. "A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester." New Journal of Chemistry 45, no. 44 (2021): 20735–42. http://dx.doi.org/10.1039/d1nj03538j.

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5

Chongboriboon, Nucharee, Kodchakorn Samakun, Winya Dungkaew, Filip Kielar, Mongkol Sukwattanasinitt, and Kittipong Chainok. "Halogen-Bonding-Driven Self-Assembly of Solvates of Tetrabromoterephthalic Acid." Crystals 11, no. 2 (2021): 198. http://dx.doi.org/10.3390/cryst11020198.

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Halogen bonding is one of the most interesting noncovalent attractions capable of self-assembly and recognition processes in both solution and solid phase. In this contribution, we report on the formation of two solvates of tetrabromoterephthalic acid (H2Br4tp) with acetonitrile (MeCN) and methanol (MeOH) viz. H2Br4tp·2MeCN (1MeCN) and H2Br4tp·2MeOH (2MeOH). The host structures of both 1MeCN and 2MeOH are assembled via the occurrence of simultaneous Br···Br, Br···O, and Br···π halogen bonding interactions, existing between the H2Br4tp molecular tectons. Among them, the cooperative effect of th

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6

Hu, Yanjing, Zhiqiang Li, Yiran Zhao, Yu Yang, Faqian Liu, and Lei Wang. "Using halogen⋯halogen interactions or C/N–H⋯Cl hydrogen bonding to direct crystal packing in tetrachlorophthalic acid with N-heterocyclic compounds." RSC Advances 5, no. 14 (2015): 10275–89. http://dx.doi.org/10.1039/c4ra15392h.

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Hydrogen bonding patterns and halogen⋯halogen interactions, C/N–H⋯Cl hydrogen bonding in a series of multi-component molecular structures constructed by tetrachlorophthalic acid with N-heterocycles were discussed.

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7

Kolář, Michal H., and Oriana Tabarrini. "Halogen Bonding in Nucleic Acid Complexes." Journal of Medicinal Chemistry 60, no. 21 (2017): 8681–90. http://dx.doi.org/10.1021/acs.jmedchem.7b00329.

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8

Tusy, Chuong, Kang Jiang, Kai Peng, Lili Huang, and Jiangbin Xia. "Effect of monomers’ structure on self-acid-assisted polycondensation for the synthesis of poly(3,4-ethylenedioxythiophene) and homopolythiophene." Polymer Chemistry 6, no. 6 (2015): 1014–22. http://dx.doi.org/10.1039/c4py01070a.

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PEDOT and homopolythiophene were synthesized by self-acid-assisted polycondensation (SAAP) based on mono-halogen substituted thiophene derivative monomers. Our results reveal that substituted halogen (bromo or iodo) positions play an important role in SAAP.

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9

Grabowski, Sławomir J. "Halogen bond with the multivalent halogen acting as the Lewis acid center." Chemical Physics Letters 605-606 (June 2014): 131–36. http://dx.doi.org/10.1016/j.cplett.2014.05.029.

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10

Chongboriboon, Nucharee, Kodchakorn Samakun, Thitirat Inprasit, et al. "Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule." CrystEngComm 22, no. 1 (2020): 24–34. http://dx.doi.org/10.1039/c9ce01140d.

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2D halogen-bonded organic frameworks were readily engineered by strong and directional effects of the primary Br⋯O and the secondary Br⋯π halogen bonding interactions from the tetrabromobenzene-1,4-dicarboxylic acid building molecule involving 100% supramolecular yields.

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11

Malkanduev, Yusuf A., Madina B. Begieva, Aneta A. Kokoeva, Muslim A. Mikitaev, Аblulakhat T. Dzhalilov, and Madzera K. Vindizheva. "Synthesis and Properties of Polymers Based on N-Vinyl-Pyrrolidone and Halogen-Containing Compounds of Acrylic Acids." Key Engineering Materials 869 (October 2020): 303–7. http://dx.doi.org/10.4028/www.scientific.net/kem.869.303.

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The paper presents the results of the copolymerization of α-halogens of acrylic acid and N-vinylpyrrolidone in the presence of a radical initiator. The copolymerization equations are presented and activity factors are calculated. IR spectra of the obtained copolymers confirm the amination reaction. The synthesized aminated polymers form intramuscular compounds with divalent metal halides at room temperature. The kinetics of the copolymerization reaction of these systems shows that the presence of a reactive halogen atom in the structure of the copolymer has a great influence on the formation a

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12

Sanjeeva, Kavitha Buntara, Ilaria Tirotta, Vijith Kumar, Francesca Baldelli Bombelli, Giancarlo Terraneo, and Pierangelo Metrangolo. "Crystallographic insights into the structural aspects of thioctic acid based halogen-bond donor for the functionalization of gold nanoparticles." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 73, no. 2 (2017): 240–46. http://dx.doi.org/10.1107/s2052520617003092.

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The synthesis and self-assembly capabilities of a new halogen-bond donor ligand, 2,3,5,6-tetrafluoro-4-iodophenyl 5-(1,2-dithiolan-3-yl)pentanoate (1), are reported. The crystal structure of ligand (1) and the formation of a cocrystal with 1,2-di(4-pyridyl)ethylene, (1)·(2), both show halogen bonds involving the 4-iodotetrafluorobenzene moiety. Ligand (1), being a self-complementary unit, forms an infinite halogen-bonded chain driven by the S...I synthon, while the cocrystal (1)·(2) self-assembles into a discrete trimeric entity driven by the N...I synthon. Ligand (1) was also successfully use

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13

von Glasow, R., and P. J. Crutzen. "Model study of multiphase DMS oxidation with a focus on halogens." Atmospheric Chemistry and Physics 4, no. 3 (2004): 589–608. http://dx.doi.org/10.5194/acp-4-589-2004.

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Abstract. We studied the oxidation of dimethylsulfide (DMS) in the marine boundary layer (MBL) with a one-dimensional numerical model and focused on the influence of halogens. Our model runs show that there is still significant uncertainty about the end products of the DMS addition pathway, which is especially caused by uncertainty in the product yield of the reaction of the intermediate product methyl sulfinic acid (MSIA) with OH. BrO strongly increases the importance of the addition branch in the oxidation of DMS even when present at mixing ratios smaller than 0.5pmol mol-1. The inclusion of

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14

Sultigova, Zakhirat, Zareta Inarkieva, Arsen Kharaev, Rima Bazheva, and Maryam Parchieva. "Halogen-Containing Fire Resistant Copolyesters." Key Engineering Materials 899 (September 8, 2021): 17–23. http://dx.doi.org/10.4028/www.scientific.net/kem.899.17.

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Copolyarylates based on a mixture of 2,2-bis (4'-hydroxyphenyl) propane, 3,3-bis (4'-hydroxyphenyl) phthalide, terephthalic and isophthalic acid chlorides and 3,5-dibromo-p-hydroxybenzoic acid chloride were synthesized by low-temperature acceptor-catalytic polycondensation. To study the structure of the obtained polyesters and study the physical and mechanical properties, infrared spectroscopy, elemental, thermogravimetric, X-ray structural and thermomechanical analyzes were used. The obtained polymers have high values of strength characteristics, thermal and heat resistance, good fire resis

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15

Pan, Ying, Lulu Xue, Yinjie Chen, et al. "Luminous Self-Assembled Fibers of Azopyridines and Quantum Dots Enabled by Synergy of Halogen Bond and Alkyl Chain Interactions." Molecules 27, no. 23 (2022): 8165. http://dx.doi.org/10.3390/molecules27238165.

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Herein, a simple approach for the fabrication of luminous self-assembled fibers based on halogen-bonded azopyridine complexes and oleic acid-modified quantum dots (QDs) is reported. The QDs uniformly align on the edge of the self-assembled fibers through the formation of van der Waals force between the alkyl chain of oleic acid on the QD surface and the alkyl chain of the halogen-bonded complexes, 15Br or 15I. Furthermore, the intermolecular interaction mechanism was elucidated by using Fourier-transform infrared spectroscopy (FTIR), Raman spectroscopy, and density functional theory (DFT) calc

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16

Buck, Suelen T. G., Fernanda Bettanin, Ednilson Orestes, et al. "Photodynamic Efficiency of Xanthene Dyes and Their Phototoxicity against a Carcinoma Cell Line: A Computational and Experimental Study." Journal of Chemistry 2017 (2017): 1–9. http://dx.doi.org/10.1155/2017/7365263.

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The aim of this study is to assess the insights of molecular properties of the xanthene dyes [fluorescein (FL), Rose Bengal (RB), erythrosin B (EB), and eosin Y (EY)] to correlate systematically their photodynamic efficiency as well as their phototoxicity against a carcinoma cell line. The phototoxicity was evaluated by comparing the values of the medium inhibitory concentration (IC50) upon HEp-2 cells with the xanthene corresponding photodynamic activity using the uric acid as a chemical dosimeter and their octanol-water partition coefficient (log⁡P). RB was the more cytotoxic dye against HEp

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17

Carter, Korey, Sonia Thangavelu, and Christopher Cahill. "Exploration of supramolecular interactions in a series of UO22+hybrid materials." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C641. http://dx.doi.org/10.1107/s2053273314093589.

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Previous work from our group has focused on uranyl hybrid materials with para-substituted halogen benzoic acids.1 Applying a `cap and link' strategy we have successfully controlled the nuclearity of UO22+ in a series of coordination polymers and Ln3+ in a family of molecular materials.2,3 Here we have expanded on this strategy and produced a series of 12 unique uranyl hybrid materials. The hydrothermally synthesized complexes all feature bromo-substituted benzoic acid linkers and the UO22+ metal centers are capped with a chelating N-donor. Single crystal X-ray diffraction analyses of these mat

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18

Pramanik, Titas, Mysore S. Pavan, and Tayur N. Guru Row. "Do halogen bonds dictate the packing preferences in solid solutions?" Faraday Discussions 203 (2017): 201–12. http://dx.doi.org/10.1039/c7fd00084g.

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The isomeric compounds, 4-bromo-2-chloro benzoic acid (4Br) and 2-bromo-4-chlorobenzoic acid (2Br), crystallize in entirely different space groups, P2<sub>1</sub>/n and P1̄ respectively. Both structures are stabilized by a strong O–H⋯O hydrogen bonds generating a carboxylic acid dimer along with an unusual triangular halogen bonded motif in the former and a well-defined halogen bond in the latter. Charge density analysis establishes the nature of halogen bonds by bringing out significant changes in the packing features of the two structures as well as the quantification of the interaction ener

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19

Naumkina, Yelizaveta, J. Čejka, and E. I. Korotkova. "Characterization of apremilast–halogen benzoic acid cocrystals." Acta Crystallographica Section A Foundations and Advances 80, a1 (2024): e555-e555. https://doi.org/10.1107/s2053273324094440.

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20

Frontera, Antonio, and Antonio Bauzá. "Halogen Bonds in Protein Nucleic Acid Recognition." Journal of Chemical Theory and Computation 16, no. 7 (2020): 4744–52. http://dx.doi.org/10.1021/acs.jctc.0c00431.

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21

Savilov, Serguei V., Natalia E. Strokova, Anton S. Ivanov, Gulnara M. Kuramshina, and Igor I. Morozov. "The features of haloacetic acid oxidation that contribute to stratospheric ozone depletion." Environmental Chemistry 18, no. 8 (2022): 360–69. http://dx.doi.org/10.1071/en21140.

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Environmental context Due to The Montreal Protocol, stratospheric ozone concentration is slowly regenerating, however, the recovery rate is slower than predicted by photochemical models. FTIR spectroscopy together with quantum chemical calculations confirmed that ozone reacts with halogenated acids adsorbed at a model aerosol surface. Reactions occur at low temperatures without photochemical activation with formation of halogen oxides that are known to promote catalytic cycles of ozone depletion. Abstract The present work addresses the problem of stratospheric ozone depletion. While gas phase

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22

Dirda, Nathaniel D. A., Peter Y. Zavalij, and Joseph P. Y. Kao. "Crystal and molecular structure ofmeso-2,6-dibromoheptanedioic acid (meso-2,6-dibromopimelic acid)." Acta Crystallographica Section E Crystallographic Communications 72, no. 3 (2016): 322–24. http://dx.doi.org/10.1107/s2056989016001754.

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The molecular structure of the title compound, C7H10Br2O4, confirms themeso(2R,6S) configuration. In the crystal, molecules are linked by pairs of O—H...O=C hydrogen bonds between their terminal carboxyl groups in anR22(8) motif, forming extended chains that propagate parallel to thecaxis. Adjacent chains are linked by C=O...Br halogen bonds.

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23

Toyota, K., Y. Kanaya, M. Takahashi, and H. Akimoto. "A box model study on photochemical interactions between VOCs and reactive halogen species in the marine boundary layer." Atmospheric Chemistry and Physics Discussions 3, no. 5 (2003): 4549–632. http://dx.doi.org/10.5194/acpd-3-4549-2003.

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Abstract. A new chemical scheme is developed for the multiphase photochemical box model SEAMAC (size-SEgregated Aerosol model for Marine Air Chemistry) to investigate photochemical interactions between volatile organic compounds (VOCs) and reactive halogen species in the marine boundary layer (MBL). Based primarily on critically evaluated kinetic and photochemical rate parameters as well as a protocol for chemical mechanism development, the new scheme has achieved a near-explicit treatment of oxidative degradation of up to C3-hydrocarbons CH4, C2H6, C3H8, C2H4, C3H6, and C2H2) initiated by rea

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24

Ramalhete, Susana M., Jamie S. Foster, Hayley R. Green, et al. "Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties." Faraday Discussions 203 (2017): 423–39. http://dx.doi.org/10.1039/c7fd00108h.

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Phenylalanine is an important amino acid both biologically, essential to human health, and industrially, as a building block of artificial sweeteners. Our interest in this particular amino acid and its derivatives lies with its ability to form gels in a number of solvents. We present here the studies of the influence of halogen addition to the aromatic ring on the gelation properties and we analyse the crystal structures of a number of these materials to elucidate the trends in their behaviour based on the halogen addition to the aromatic group and the interactions that result.

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25

Kalaj, Mark, Korey P. Carter, and Christopher L. Cahill. "Utilizing bifurcated halogen-bonding interactions with the uranyl oxo group in the assembly of a UO2–3-bromo-5-iodobenzoic acid coordination polymer." Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 73, no. 2 (2017): 234–39. http://dx.doi.org/10.1107/s2052520617001639.

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The synthesis and crystal structure of a new uranyl coordination polymer featuring 3-bromo-5-iodobenzoic acid is described and the luminescent and vibrational properties of the material have been explored. Compound (1), [UO2(C7H3BrIO2)2]n, features dimeric uranyl units chelated and then linked by 3-bromo-5-iodobenzoic acid ligands to form a one-dimensional coordination polymer that is subsequently assembledviabifurcated halogen-bonding interactions with uranyl oxo atoms to form a supramolecular three-dimensional network. The asymmetric, bifurcated halogen-bonding interaction in (1) is notable

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26

Scheiner, Steve. "Comparison of Bifurcated Halogen with Hydrogen Bonds." Molecules 26, no. 2 (2021): 350. http://dx.doi.org/10.3390/molecules26020350.

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Bifurcated halogen bonds are constructed with FBr and FI as Lewis acids, paired with NH3 and NCH bases. The first type considered places two bases together with a single acid, while the reverse case of two acids sharing a single base constitutes the second type. These bifurcated systems are compared with the analogous H-bonds wherein FH serves as the acid. In most cases, a bifurcated system is energetically inferior to a single linear bond. There is a larger energetic cost to forcing the single σ-hole of an acid to interact with a pair of bases, than the other way around where two acids engage

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27

Komaril Sofi’i, Yepy, Eko Siswanto, Winarto, and I. Nyoman Gede Wardana. "Hydrogen production by photocatalysis method of glutamic acid and activated carbon." E3S Web of Conferences 181 (2020): 01009. http://dx.doi.org/10.1051/e3sconf/202018101009.

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This research is purposed to produces hydrogen gas as an alternative fuels by environmentally friendly photo catalysis method. The photo catalyst was made of glutamic acid (C5H9NO4) and activated carbon both are dissolved in water in closed glass tube. In addition, halogen lamp with wavelength of 560 nm-580 nm was used as the lighting source. The heat from halogen lamp makes an electron orbit in the catalyst to be elliptical and polar. The photon from halogen lamp makes the electron leaps from its orbit. While the defective graphene on activated carbon gets energy from heat and photon, they wi

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28

Wang, Hui, and Yiyun Cheng. "All-small-molecule dynamic covalent hydrogels with multistimuli responsiveness." Materials Chemistry Frontiers 3, no. 3 (2019): 472–75. http://dx.doi.org/10.1039/c8qm00612a.

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29

Patil, Anjali A., David Y. Curtin, and Iain C. Paul. "Effect of Molecular Symmetry and Intermolecular Halogen-Halogen Interactions on the Crystal Structures of Halogen-Substituted Benzoic Acids. X-ray Crystal Structure ofm-Iodobenzoic Acid." Israel Journal of Chemistry 25, no. 3-4 (1985): 320–26. http://dx.doi.org/10.1002/ijch.198500052.

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30

Saha, Koushik, Nordin H. Lajis, Faridah Abas, Nabil Ali Naji, A. Sazali Hamzah, and Khozirah Shaari. "Halophenol Rearrangement in Lewis Acid-Catalyzed Friedel - Crafts Conditions: Evidence of Competitive Initial Protonation and Acylation." Australian Journal of Chemistry 61, no. 10 (2008): 821. http://dx.doi.org/10.1071/ch08084.

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Halogen rearrangement was observed during the Lewis acid-catalyzed Friedel–Crafts reaction of phthalic anhydride with bromophenols or bromoanisole. Further investigation revealed that 2-, 3-, and 4-bromophenols undergo rearrangement into other isomers under these reaction conditions. Product distribution from these reactions suggested that halogen rearrangement takes place during the s-complex intermediate of the condensation step. Furthermore, iodophenol undergoes hydrodeiodination rapidly rather than rearrangement, whereas chlorophenol does not undergo rearrangement at all.

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31

Steiner, Christian, Lukas Fromm, Julian Gebhardt, et al. "Host guest chemistry and supramolecular doping in triphenylamine-based covalent frameworks on Au(111)." Nanoscale 13 (May 9, 2021): 9798–807. https://doi.org/10.1039/D0NR09140E.

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The post-synthetic modification of covalent organic frameworks (COFs) <em>via</em> host–guest chemistry is an important method to tailor their electronic properties for applications. Due to the limited structural control in the assembly of two-dimensional surface-supported COFs, supramolecular networks are traditionally used at present for host–guest experiments on surfaces, which lack structural and thermal stability, however. Here, we present a combined scanning tunneling microscopy and density functional theory study to understand the host–guest interaction in triphenylami

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32

Hou, Yali, Shusheng Li, Zeyuan Zhang, Long Chen, and Mingming Zhang. "A fluorescent platinum(ii) metallacycle-cored supramolecular network formed by dynamic covalent bonds and its application in halogen ions and picric acid detection." Polymer Chemistry 11, no. 2 (2020): 254–58. http://dx.doi.org/10.1039/c9py00895k.

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33

Kang, Yan-Biao, Xian-Min Chen, Chuan-Zhi Yao, and Xiao-Shan Ning. "Direct oxidative lactonization of alkenoic acids mediated solely by NaIO4: beyond a simple oxidant." Chemical Communications 52, no. 36 (2016): 6193–96. http://dx.doi.org/10.1039/c6cc02246d.

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34

Drabowicz, Józef, Frank Jordan, Marcin H. Kudzin, Zbigniew H. Kudzin, Christian V. Stevens, and Paweł Urbaniak. "Reactivity of aminophosphonic acids. Oxidative dephosphonylation of 1-aminoalkylphosphonic acids by aqueous halogens." Dalton Transactions 45, no. 5 (2016): 2308–17. http://dx.doi.org/10.1039/c5dt03083h.

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35

Povidaichyk, M. V., A. Yu Kostyk, M. Yu Onysko, and E. M. Ostapchuk. "ELECTROPHILIC HETEROCYCLIZATION OF 1-PENTYNYLPYRAZOLE-4-CARBALDHEDY UNDER THE ACTION OF HALOGENS AND TELLURM HALOGENIDES." Scientific Bulletin of the Uzhhorod University. Series «Chemistry» 53, no. 1 (2025): 34–39. https://doi.org/10.24144/2414-0260.2025.1.34-39.

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The synthesis of condensed poriazole derivatives is relevant because such heterocycles have a range of biological activities and are also used as drugs. Their ability to exhibit analgesic, antimicrobial, antihistamine, and antitumor effects gives prospects for the creation of new cyclic heterocyclic pyrazole derivatives. In the present work, the electrophilic heterocyclization of terminal 1-pentynylpyrazole-4-carbaldehyde under the action of halogens and tellurium halides was investigated. It has been shown that the action of molecular and hybrid halogens on 1-pentynylpyrazole-4-carbaldehyde i

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36

Chan, Liana C., Hong K. Lee, Ling Wang, et al. "Diflunisal and Analogue Pharmacophores Mediating Suppression of Virulence Phenotypes in Staphylococcus aureus." Antibiotics 12, no. 7 (2023): 1180. http://dx.doi.org/10.3390/antibiotics12071180.

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Invasive methicillin-resistant Staphylococcus aureus (MRSA) infections are leading causes of morbidity and mortality that are complicated by increasing resistance to conventional antibiotics. Thus, minimizing virulence and enhancing antibiotic efficacy against MRSA is a public health imperative. We originally demonstrated that diflunisal (DIF; [2-hydroxy-5-(2,4-difluorophenyl) benzoic acid]) inhibits S. aureus virulence factor expression. To investigate pharmacophores that are active in this function, we evaluated a library of structural analogues for their efficacy to modulate virulence pheno

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37

Bondarenko, Mikhail A., Alexander S. Novikov, Maxim N. Sokolov, and Sergey A. Adonin. "Heteroleptic Zn(II)–Pentaiodobenzoate Complexes: Structures and Features of Halogen–Halogen Non-Covalent Interactions in Solid State." Inorganics 10, no. 10 (2022): 151. http://dx.doi.org/10.3390/inorganics10100151.

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Reactions between Zn(II) nitrate, pentaiodobenzoic acid (HPIBA) and different pyridines in dimethylformamide (DMF) result in the formation of the heteroleptic neutral complexes [Zn(3,5-MePy)2PIBA2] (1) and [Zn(DMF)3(NO3)PIBA] (2). Both compounds were isolated in pure form, as shown by the PXRD data. The features of specific non-covalent interactions involving halogen atoms (halogen bonding) were examined by means of DFT calculations (QTAIM analysis and the estimation of corresponding energies).

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38

K., H. Popat, S. Nimavat K., M. Thaker K., and S. Joshi H. "Synthesis and biological activities of some quinoxaline derivatives bearing aromatic halogen nucleus." Journal of Indian Chemical Society Vol. 80, July 2003 (2003): 709–10. https://doi.org/10.5281/zenodo.5835542.

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Department of Chemistry, Saurashtra University, RaJkot-360 005, India <em>E-mail</em> : drhsjoshi@yahoo.com               <em>Fax</em> : 91-281-578512 <em>Manuscript received 4 April 2002, revised 1 January 2003. accepted 21 March 2003</em> 1-Aryl-3-(3'-chlorophenyl)-2-propen-1-ones (1a-j) on reaction with bromine in acetic acid yielded 1-aryl-3-(3'-chlorophenyl)-2,3-dibromopropan-1-ones (2a-j). Reaction of 2a-j with <em>o</em>-phenylenediamine afforded the corresponding 2-(3'-chlorophenyl)-3-substituted benzylquinoxaline (3a-j). The synthesi

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Ram, Shankar, Ajay Kumar Sharma, Arvind Singh Chauhan, and Pralay Das. "Palladium-catalyzed ortho-halogen-induced deoxygenative approach of alkyl aryl ketones to 2-vinylbenzoic acids." Chemical Communications 56, no. 73 (2020): 10674–77. http://dx.doi.org/10.1039/d0cc02941f.

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Gajda, Roman, and Andrzej Katrusiak. "Compressed hydrogen-bond effects in the pressure-frozen chloroacetic acid." Acta Crystallographica Section B Structural Science 63, no. 6 (2007): 896–902. http://dx.doi.org/10.1107/s0108768107037263.

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The competing effects of squeezed OH...O bonds, destabilizing the H-atom position, and of displaced hydrogen donor and acceptor groups, favouring the ordered H-atom sites, have been tuned by pressure in the pressure-frozen dichloroacetic acid. Its structure has been determined at 0.1, 0.7, 0.9 and 1.4 GPa: in this pressure range the crystals are stable in the monoclinic space group P21/n. The molecules are O—H...O hydrogen bonded into dimers, which in turn interact via a unique pattern of halogen...halogen contacts. Between 0.1 and 1.4 GPa the OH...O bond is squeezed from 2.674 (13) to 2.632 (

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Wu, Yican, Jinxing Li, Yinlun Yuan, et al. "Halogen bonding versus hydrogen bonding induced 2D self-assembled nanostructures at the liquid–solid interface revealed by STM." Physical Chemistry Chemical Physics 19, no. 4 (2017): 3143–50. http://dx.doi.org/10.1039/c6cp08054e.

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Gordon, Matthew N., Yanyao Liu, Ibrahim H. Shafei, M. Kevin Brown та Sara E. Skrabalak. "Crystal structures of three β-halolactic acids: hydrogen bonding resulting in differing Z′". Acta Crystallographica Section C Structural Chemistry 78, № 4 (2022): 257–64. http://dx.doi.org/10.1107/s2053229622002856.

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The crystal structures of three β-halolactic acids have been determined, namely, β-chlorolactic acid (systematic name: 3-chloro-2-hydroxypropanoic acid, C3H5ClO3) (I), β-bromolactic acid (systematic name: 3-bromo-2-hydroxypropanoic acid, C3H5BrO3) (II), and β-iodolactic acid (systematic name: 2-hydroxy-3-iodopropanoic acid, C3H5IO3) (III). The number of molecules in the asymmetric unit of each crystal structure (Z′) was found to be two for I and II, and one for III, making I and II isostructural and III unique. The difference between the molecules in the asymmetric units of I and II is due to

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Szell, Patrick M. J., Julien Dragon, Scott Zablotny, Stephen R. Harrigan, Bulat Gabidullin, and David L. Bryce. "Mechanochemistry and cocrystallization of 3-iodoethynylbenzoic acid with nitrogen-containing heterocycles: concurrent halogen and hydrogen bonding." New Journal of Chemistry 42, no. 13 (2018): 10493–501. http://dx.doi.org/10.1039/c8nj00437d.

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Kokot, Maja, Doroteja Novak, Irena Zdovc, Marko Anderluh, Martina Hrast, and Nikola Minovski. "Exploring Alternative Pathways to Target Bacterial Type II Topoisomerases Using NBTI Antibacterials: Beyond Halogen-Bonding Interactions." Antibiotics 12, no. 5 (2023): 930. http://dx.doi.org/10.3390/antibiotics12050930.

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Novel bacterial topoisomerase inhibitors (NBTIs) are a new class of antibacterial agents that target bacterial type II topoisomerases (DNA gyrase and topoisomerase IV). Our recently disclosed crystal structure of an NBTI ligand in complex with DNA gyrase and DNA revealed that the halogen atom in the para position of the phenyl right hand side (RHS) moiety is able to establish strong symmetrical bifurcated halogen bonds with the enzyme; these are responsible for the excellent enzyme inhibitory potency and antibacterial activity of these NBTIs. To further assess the possibility of any alternativ

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Clewley, Robin G., Alfred Fischer, and George N. Henderson. "ipso Nitration in p-halophenyl ethers." Canadian Journal of Chemistry 67, no. 9 (1989): 1472–79. http://dx.doi.org/10.1139/v89-224.

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Addition of nitronium ion ipso to halogen occurs on nitration of the p-haloanisoles in acetic anhydride at −60 °C. In the cases of p-fluoro- and p-chloro-anisole, addition of the nitronium ion is reversible and only small amounts of ipso products are obtained. With p-bromoanisole nitrodebromination occurs. When p-halophenyl ethers containing a trapping substituent, e.g., 2-(4-chlorophenoxy)-2-methylpropanoic acid, are used as substrates, substantial amounts of the spiro diene with nitro ipso to halogen, e.g., 3,3-dimethyl-8-chloro-8-nitro-1,4-dioxaspiro[4.5]deca-6,9-dien-2-one, can be isolated

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Torita, Koki, Ryosuke Haraguchi, Yoshitsugu Morita, Satoshi Kemmochi, Teruyuki Komatsu, and Shin-ichi Fukuzawa. "Lewis acid–base synergistic catalysis of cationic halogen-bonding-donors with nucleophilic counter anions." Chemical Communications 56, no. 67 (2020): 9715–18. http://dx.doi.org/10.1039/d0cc04013d.

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Corral Arroyo, Pablo, Raffael Aellig, Peter A. Alpert, Rainer Volkamer, and Markus Ammann. "Halogen activation and radical cycling initiated by imidazole-2-carboxaldehyde photochemistry." Atmospheric Chemistry and Physics 19, no. 16 (2019): 10817–28. http://dx.doi.org/10.5194/acp-19-10817-2019.

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Abstract. Atmospheric aerosol particles can contain light-absorbing organic compounds, also referred to as brown carbon (BrC). The ocean surface and sea spray aerosol particles can also contain light-absorbing organic species referred to as chromophoric dissolved organic matter (CDOM). Many BrC and CDOM species can contain carbonyls, dicarbonyls or aromatic carbonyls such as imidazole-2-carboxaldehyde (IC), which may act as photosensitizers because they form triplet excited states upon UV–VIS light absorption. These triplet excited states are strong oxidants and may initiate catalytic radical

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Taydakov, Ilya V., Tatiana S. Vlasova, Yury A. Belousov, Sergey R. Zanizdra, and Victoria E. Gontcharenko. "2,3,4,5,6-Pentabromobenzoic Acid." Molbank 2022, no. 4 (2022): M1455. http://dx.doi.org/10.3390/m1455.

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Pentabromobenzoate is a useful fragment in organic synthesis and in coordination chemistry. Among known synthetic approaches to pentabromobenzoic acid (PBA), we have assessed and identified exhaustive bromination of benzoic acid by using 1.3-dibromoisocyanuric acid in concentrated H2SO4 solution as the most efficient method for the preparation of PBA on a multigram scale. As the crude bromination product is typically contaminated with 3,4,5,6-tetrabromobenzoic acid (TBA) and pentabromobenzene, C6Br5H, a simple purification protocol for preparation of analytically pure PBA has been developed. T

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Zhang, Feng, Safak Bulut, Xiaojun Shen, et al. "Halogen-free fixation of carbon dioxide into cyclic carbonates via bifunctional organocatalysts." Green Chemistry 23, no. 3 (2021): 1147–53. http://dx.doi.org/10.1039/d0gc03846f.

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Bifunctional organocatalysts bearing diamine and carboxylic acid groups efficiently catalyze the coupling reaction of CO<sub>2</sub> with epoxides under halogen-free conditions due to a synergy effect.

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Fan, Xiaolong, Jing Cai, Chao Yan, et al. "Atmospheric gaseous hydrochloric and hydrobromic acid in urban Beijing, China: detection, source identification and potential atmospheric impacts." Atmospheric Chemistry and Physics 21, no. 14 (2021): 11437–52. http://dx.doi.org/10.5194/acp-21-11437-2021.

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Abstract. Gaseous hydrochloric (HCl) and hydrobromic acid (HBr) are vital halogen species that play essential roles in tropospheric physicochemical processes. Yet, the majority of the current studies on these halogen species were conducted in marine or coastal areas. Detection and source identification of HCl and HBr in inland urban areas remain scarce, thus limiting the full understanding of halogen chemistry and potential atmospheric impacts in the environments with limited influence from the marine sources. Here, both gaseous HCl and HBr were concurrently measured in urban Beijing, China, d

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