On the nature of the stabilisation of the E π pnicogen bond in the SbCl toluene complex

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...

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Published in:Chemical communications (Cambridge, England) England), 2016-02, Vol.52 (17), p.35-353
Main Authors: Lo, Rabindranath, Švec, Petr, R i ková, Zde ka, R i ka, Aleš, Hobza, Pavel
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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.
ISSN:1359-7345
1364-548X
DOI:10.1039/c5cc10363k