Hydrogen bond radii for the hydrogen halides and van der Waals radius of hydrogen

Mandal, Pankaj K. ; Arunan, E. (2001) Hydrogen bond radii for the hydrogen halides and van der Waals radius of hydrogen The Journal of Chemical Physics, 114 (9). 3880_1-3880_3. ISSN 0021-9606

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Official URL: http://link.aip.org/link/?JCPSA6/114/3880/1

Related URL: http://dx.doi.org/10.1063/1.1343905

Abstract

In this article, the effective size of hydrogen in the hydrogen halides forming hydrogen bonded complexes is estimated. The scheme proposed by Bhadane and Gadre [J. Chem. Phys. 107, 5625 (1997)] for estimating the size of hydrogen in HF is extended to the other hydrogen halides (HCl and HBr) and HCN. It is noted that the radius of H atom in HF, HCl, HBr, and HCN are, respectively, 0.55±0.07, 0.74±0.08, 0.80±0.11, and 0.93±0.07Å. The radii found for HF, HCl, and HBr show a strong inverse correlation with the dipole moment of the HX. From this correlation the radius of H atom in HI is estimated to be 0.90±0.11Å. By extrapolating to zero dipole moment, the van der Waals radius of H atom is determined to be 1.0±0.1Å, reasonably close to the value proposed by Pauling, 1.2 Å.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
Keywords:Hydrogen Compounds; Hydrogen Bonds; Molecular Moments
ID Code:48229
Deposited On:14 Jul 2011 06:48
Last Modified:14 Jul 2011 06:48

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