Mandal, Pankaj K and Arunan, E (2001) Hydrogen bond radii for the hydrogen halides and van der Waals radius of hydrogen. In: Journal of Chemical Physics, 114 (9). pp. 3880-3882.
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±0.07 Å. 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±0.11 Å. By extrapolating to zero dipole moment, the van der Waals radius of H atom is determined to be 1.0±0.1 Å, reasonably close to the value proposed by Pauling, 1.2 Å.
|Item Type:||Journal Article|
|Additional Information:||Copyright for this article belongs to American Institute of Physics (AIP).|
|Department/Centre:||Division of Chemical Sciences > Inorganic & Physical Chemistry|
|Date Deposited:||16 Dec 2004|
|Last Modified:||19 Sep 2010 04:17|
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