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

Beitrag in einer Fachzeitschrift


Details zur Publikation

Autor(en): Clark T, Heßelmann A
Zeitschrift: Physical Chemistry Chemical Physics
Verlag: ROYAL SOC CHEMISTRY
Jahr der Veröffentlichung: 2018
Band: 20
Heftnummer: 35
Seitenbereich: 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-Autoren / FAU-Herausgeber

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


Zitierweisen

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: 

Zuletzt aktualisiert 2018-19-12 um 09:38