Chlorine bond distances in ClF and $Cl_2$ complexes

Karan, Naba K and Arunan, E (2004) Chlorine bond distances in ClF and $Cl_2$ complexes. In: Journal of Molecular Structure, 688 (1-3). pp. 203-205.

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Abstract

Intermolecular distances in weakly bound complexes have been usually interpreted in terms of van der Waals radii of atoms/molecules. Recently, it has been shown that for hydrogen-bonded complexes, one could empirically define a hydrogen bond radius [J. Chem. Phys. 114 (2001) 3880]. In this Communication, a similar approach is used for analyzing the B· · ·Cl distances in B· · ·$ClF/Cl_2$ complexes, where B is the atom or center in the bonding partner. Chlorine bond radius for ClF and $Cl_2$ are determined to be 1.28 $\pm$ 0.11 $\AA$ and 1.55 $\pm$ 0.07 $\AA$ , respectively. The ClF molecule with a non-zero dipole moment interacts more strongly and closely with B than $Cl_2$ having zero dipole moment. However, the Cl bond radius in $Cl_2$ complexes is still smaller than the van der Waals radius of Cl (1.80 $\AA$ ), pointing to the importance of multipole moments in intermolecular interaction, in this case the quadrupole moment of $Cl_2.$

Item Type:	Journal Article
Publication:	Journal of Molecular Structure
Publisher:	Elsevier
Additional Information:	The copyright belongs to Elsevier.
Keywords:	Chlorine bonding;Weakly bound complexes;Intermolecular interaction
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	30 May 2006
Last Modified:	19 Sep 2010 04:27
URI:	http://eprints.iisc.ac.in/id/eprint/7124

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