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

Journal article


Publication Details

Author(s): Clark T, Heßelmann A
Journal: Physical Chemistry Chemical Physics
Publisher: ROYAL SOC CHEMISTRY
Publication year: 2018
Volume: 20
Journal issue: 35
Pages range: 22849-22855
ISSN: 1463-9076
eISSN: 1463-9084


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.


FAU Authors / FAU Editors

Clark, Timothy apl. Prof. Dr.
Computer-Chemie-Centrum
Heßelmann, Andreas PD Dr.
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.

BibTeX: 

Last updated on 2018-19-12 at 09:38