Role of Polarization in Halogen Bonds
Clark T, Murray JS, Politzer P (2014)
Publication Status: Published
Publication Type: Journal article
Publication year: 2014
Journal
Publisher: CSIRO Publishing
Book Volume: 67
Pages Range: 451-456
Journal Issue: 3
DOI: 10.1071/CH13531
Abstract
A classical point-charge self-consistent polarization model has been used to investigate the role of polarization in the CF3Cl:OH2 complex. The polarised electron densities of the monomers component are shown to be a good representation of the electron densities of complexes, especially CF3Cl. The point-charge model overestimates the polarization of the water molecule, which is likely because exchange repulsion is unaccounted for in the classical model calculations.
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APA:
Clark, T., Murray, J.S., & Politzer, P. (2014). Role of Polarization in Halogen Bonds. Australian Journal of Chemistry, 67(3), 451-456. https://dx.doi.org/10.1071/CH13531
MLA:
Clark, Timothy, Jane S. Murray, and Peter Politzer. "Role of Polarization in Halogen Bonds." Australian Journal of Chemistry 67.3 (2014): 451-456.
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