Results 41 to 50 of about 449,459 (150)
Bulletin of the Chemical Society of Ethiopia, 2017 The theoretical calculations of the complexes formed by pyrazine (PZ) with hypohalous acids (HOX; X= F, Cl, Br and I) have been carried out at the MP2/6-311++G(2d,2p) computational level.
A. Zabardasti +2 more
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Halogen-bonded cocrystallization with phosphorus, arsenic and antimony acceptors
Nature Communications, 2019 Halogen bonding can be exploited for the design of functional supramolecular materials, but heavier elements that are known to accept a halogen bond remain limited.
Katarina Lisac +8 more
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IUCrJ, 2015 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.
Christer B. Aakeröy +4 more
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Cell Reports Physical Science, 2022 Summary: Halogen···halogen (X···X) short contacts, especially halogen bonds (XBs), have been widely used in multifarious fields because of their bridging function among luminophores, as well as their well-known heavy atom effect.
Zihao Zhao +7 more
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Skeletal metalation of lactams through a carbonyl-to-nickel-exchange logic
Nature Communications, 2023 Classical metalation reactions such as the metal-halogen exchange have had a transformative impact on organic synthesis owing to their broad applicability in building carbon-carbon bonds from carbon-halogen bonds.
Hongyu Zhong +7 more
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Nature of the Hydrogen Bond Enhanced Halogen Bond
Molecules, 2021 The factors responsible for the enhancement of the halogen bond by an adjacent hydrogen bond have been quantitatively explored by means of state-of-the-art computational methods. It is found that the strength of a halogen bond is enhanced by ca.
Susana Portela, Israel Fernández
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Halogen Bonding Involving CO and CS with Carbon as the Electron Donor
Molecules, 2017 MP2/aug’-cc-pVTZ calculations have been carried out to investigate the halogen-bonded complexes formed when CO and CS act as electron-pair donors through C to ClF, ClNC, ClCl, ClOH, ClCN, ClCCH, and ClNH2.
Janet E. Del Bene +2 more
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Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt
Acta Crystallographica Section E: Crystallographic Communications, 2021 4,6-Dibromo-2,3,3-trimethyl-3H-indole, C11H11Br2N, exists as a neutral molecule in the asymmetric unit. The asymmetric unit of 4,6-dibromo-2,3,3-trimethyl-3H-indol-1-ium iodide, C12H14Br2N+·I−, contains one organic cation and one iodine anion.
Irina S. Konovalova +4 more
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, 2022 Six novel halogen-bonded cocrystals of 1,3,5-triiodo-2,4,6-trifluorobenzene with three structural isomers of benzoylpyridine have been synthesized mechanochemically and by crystallization from solution, five of which were structurally characterized.
Nea Baus Topić (12557492) +4 more
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Molecules, 2023 Charge-shift (CS) bonding is a new bonding paradigm in the field of chemical bonds. Our recent study has revealed that certain Cu/Ag/Au-bonds display both CS bonding and ω-bonding characters. In this investigation, we extend our study to halogen bonding.
Junjie Song +6 more
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