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...
Saved in:
Main Authors | , , , , |
---|---|
Format | Journal Article |
Published |
18.02.2016
|
Online Access | Get full text |
Cover
Loading…
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 |