On the nature of the stabilisation of the E π pnicogen bond in the SbCl3 toluene complexElectronic supplementary information (ESI) available: Computational details and the coordinates of the optimized geometries, electron differential map and selected parameters of crystallographic measurements. CCDC 1432791. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5cc10363k

The off-symmetrical structure of the toluene SbCl 3 complex is a consequence of the off-centre location of σ-holes at the Sb atom. DFT-SAPT calculations have been used to determine the total interaction energies and their components. The characteristic features of the pnicogen bonding are due to the...

Full description

Saved in:
Bibliographic Details
Main Authors Lo, Rabindranath, Švec, Petr, R i ková, Zde ka, R i ka, Aleš, Hobza, Pavel
Format Journal Article
Published 18.02.2016
Online AccessGet full text

Cover

More Information
Summary:The off-symmetrical structure of the toluene SbCl 3 complex is a consequence of the off-centre location of σ-holes at the Sb atom. DFT-SAPT calculations have been used to determine the total interaction energies and their components. The characteristic features of the pnicogen bonding are due to the concert action of electrostatic and dispersion interactions. The characteristic features of pnicogen bonding are due to the concert action of attractive dispersion and electrostatic interactions.
Bibliography:For ESI and crystallographic data in CIF or other electronic format see DOI
Electronic supplementary information (ESI) available: Computational details and the coordinates of the optimized geometries, electron differential map and selected parameters of crystallographic measurements. CCDC
10.1039/c5cc10363k
1432791
ISSN:1359-7345
1364-548X
DOI:10.1039/c5cc10363k