The coulombic sigma-hole model describes bonding in CX3I center dot center dot center dot Y- complexes completely

Clark T, Heßelmann A (2018)

Publication Status: Published

Publication Type: Journal article

Publication year: 2018

Journal

Physical Chemistry Chemical Physics Royal Society of Chemistry

Publisher: ROYAL SOC CHEMISTRY

Book Volume: 20

Pages Range: 22849-22855

Journal Issue: 35

DOI: 10.1039/c8cp03079k

Abstract

Contrary to recent reports, the sigma-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 sigma-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.

Authors with CRIS profile

Timothy Clark Computer-Chemie-Centrum Andreas Heßelmann Lehrstuhl für Theoretische Chemie

How to cite

APA:

Clark, T., & Heßelmann, A. (2018). The coulombic sigma-hole model describes bonding in CX3I center dot center dot center dot Y- complexes completely. Physical Chemistry Chemical Physics, 20(35), 22849-22855. https://dx.doi.org/10.1039/c8cp03079k

MLA:

Clark, Timothy, and Andreas Heßelmann. "The coulombic sigma-hole model describes bonding in CX3I center dot center dot center dot Y- complexes completely." Physical Chemistry Chemical Physics 20.35 (2018): 22849-22855.

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