Literature DB >> 23872810

Halogen bonding in fluorine: experimental charge density study on intermolecular F···F and F···S donor-acceptor contacts.

Mysore S Pavan1, Karothu Durga Prasad, T N Guru Row.   

Abstract

The enigmatic type II C-F···F-C and C-F···S-C interactions in pentafluorophenyl 2,2'-bithiazole are shown to be realistic "σ-hole" interactions based on high resolution X-ray charge density analysis.

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Year:  2013        PMID： 23872810     DOI： 10.1039/c3cc43513j

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  9 in total

1.  Role for the propofol hydroxyl in anesthetic protein target molecular recognition.

Authors:  Kellie A Woll; Brian P Weiser; Qiansheng Liang; Tao Meng; Andrew McKinstry-Wu; Benika Pinch; William P Dailey; Wei Dong Gao; Manuel Covarrubias; Roderic G Eckenhoff
Journal:  ACS Chem Neurosci       Date:  2015-03-30       Impact factor: 4.418

Review 2.  The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals.

Authors:  Sajesh P Thomas; Amol G Dikundwar; Sounak Sarkar; Mysore S Pavan; Rumpa Pal; Venkatesha R Hathwar; Tayur N Guru Row
Journal:  Molecules       Date:  2022-06-08       Impact factor: 4.927

Review 3.  Modelling the experimental electron density: only the synergy of various approaches can tackle the new challenges.

Authors:  Piero Macchi; Jean-Michel Gillet; Francis Taulelle; Javier Campo; Nicolas Claiser; Claude Lecomte
Journal:  IUCrJ       Date:  2015-05-14       Impact factor: 4.769

Review 4.  Charge density analysis for crystal engineering.

Authors:  Anna Krawczuk; Piero Macchi
Journal:  Chem Cent J       Date:  2014-12-16       Impact factor: 4.215

5.  Weak inter-actions in crystals: old concepts, new developments.

Authors:  Andrei S Batsanov
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2018-04-17

6.  The Distance between Minima of Electron Density and Electrostatic Potential as a Measure of Halogen Bond Strength.

Authors:  Edem R Chakalov; Elena Yu Tupikina; Daniil M Ivanov; Ekaterina V Bartashevich; Peter M Tolstoy
Journal:  Molecules       Date:  2022-07-28       Impact factor: 4.927

7.  New Organic-Inorganic Salt Based on Fluconazole Drug: TD-DFT Benchmark and Computational Insights into Halogen Substitution.

Authors:  Hela Ferjani; Rim Bechaieb; Marzook Alshammari; O M Lemine; Necmi Dege
Journal:  Int J Mol Sci       Date:  2022-08-06       Impact factor: 6.208

Review 8.  The Halogen Bond.

Authors:  Gabriella Cavallo; Pierangelo Metrangolo; Roberto Milani; Tullio Pilati; Arri Priimagi; Giuseppe Resnati; Giancarlo Terraneo
Journal:  Chem Rev       Date:  2016-01-26       Impact factor: 60.622

9.  A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems.

Authors:  Christer B Aakeröy; Christine L Spartz; Sean Dembowski; Savannah Dwyre; John Desper
Journal:  IUCrJ       Date:  2015-07-30       Impact factor: 4.769
  9 in total

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