Jump to main content
Jump to site search

Issue 25, 2013
Previous Article Next Article

On the directionality of halogen bonding

Author affiliations


The origin of the high directionality of halogen bonding was investigated quantum chemically by a detailed comparison of typical adducts in two different orientations: linear (most stable) and perpendicular. Energy decomposition analyses revealed that the synergy between charge-transfer interactions and Pauli repulsion are the driving forces for the directionality, while electrostatic contributions are more favourable in the less-stable, perpendicular orientation.

Graphical abstract: On the directionality of halogen bonding

Back to tab navigation

Supplementary files

Publication details

The article was received on 28 Feb 2013, accepted on 02 May 2013 and first published on 02 May 2013

Article type: Paper
DOI: 10.1039/C3CP50892G
Citation: Phys. Chem. Chem. Phys., 2013,15, 10350-10357
  •   Request permissions

    On the directionality of halogen bonding

    S. M. Huber, J. D. Scanlon, E. Jimenez-Izal, J. M. Ugalde and I. Infante, Phys. Chem. Chem. Phys., 2013, 15, 10350
    DOI: 10.1039/C3CP50892G

Search articles by author