The coulombic σ-hole model describes bonding in CX3 IY- complexes completely

Physical Chemistry Chemical Physics : PCCP
Timothy Clark, Andreas Heßelmann

Abstract

Contrary to recent reports, the σ-hole interaction energies of complexes between the carbon tetrahalides CX3I (X = F, Cl, Br, I) and halide anions Y- (Y = F, Cl, Br, I) are described very well by the simple Coulombic σ-hole concept if it is applied properly. There is no need to invoke charge transfer, which in any case is not uniquely distinguishable from polarization.

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Citations

Mar 29, 2019·Journal of Molecular Modeling·Jane S Murray, Peter Politzer
May 23, 2019·Physical Chemistry Chemical Physics : PCCP·Changwei WangYirong Mo
Nov 17, 2019·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Peter Politzer, Jane S Murray
Dec 4, 2019·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Serigne SarrNicolas Galland
Jan 17, 2020·Chemistry : a European Journal·Elric EngelageStefan M Huber
Apr 1, 2020·Angewandte Chemie·Jana M HolthoffStefan M Huber
Jul 1, 2020·Organic & Biomolecular Chemistry·Hari Ram PaudelJudy I-Chia Wu
Aug 1, 2020·Beilstein Journal of Organic Chemistry·Timothy Clark, Martin G Hicks
Apr 17, 2020·The Journal of Chemical Physics·Hans-Joachim WernerMarat Sibaev
Jan 7, 2019·Journal of Molecular Modeling·Junyong WuGuoliang Dai
Jul 1, 2020·Physical Chemistry Chemical Physics : PCCP·Prasanta Bandyopadhyay, Md Motin Seikh
Jun 27, 2019·Physical Chemistry Chemical Physics : PCCP·Zhengdan ZhuWeiliang Zhu
Nov 30, 2018·Physical Chemistry Chemical Physics : PCCP·Timothy ClarkPeter Politzer
Apr 26, 2019·Journal of Molecular Modeling·Tore Brinck, André Nyberg Borrfors
Apr 3, 2021·The Journal of Physical Chemistry. a·Brandon InscoeYirong Mo
Apr 22, 2021·Journal of Chemical Theory and Computation·Nisha MehtaLars Goerigk
Jun 20, 2021·Chemical Record : an Official Publication of the Chemical Society of Japan ... [et Al.]·Raphaël RobidasStefan M Huber
Aug 23, 2019·The Journal of Physical Chemistry Letters·Timothy R CorkishDuncan A Wild
May 27, 2020·Journal of Chemical Information and Modeling·Zhengdan ZhuWeiliang Zhu
Mar 28, 2019·The Journal of Physical Chemistry. a·Timothy Clark
Sep 14, 2021·Physical Chemistry Chemical Physics : PCCP·Naziha TarannamSebastian Kozuch
Aug 20, 2021·Chemistry : a European Journal·Jana M HolthoffStefan M Huber

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