Chlorine bond distances in ClF and Cl2 complexes

Karan, Naba K. ; Arunan, E. (2004) Chlorine bond distances in ClF and Cl2 complexes Journal of Molecular Structure, 688 (1-3). pp. 203-205. ISSN 0022-2860

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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/Cl2 complexes, where B is the atom or center in the bonding partner. Chlorine bond radius for ClF and Cl2 are determined to be 1.28±0.11 Å and 1.55±0.07 Å, respectively. The ClF molecule with a non-zero dipole moment interacts more strongly and closely with B than Cl2 having zero dipole moment. However, the Cl bond radius in Cl2 complexes is still smaller than the van der Waals radius of Cl (1.80 Å), pointing to the importance of multipole moments in intermolecular interaction, in this case the quadrupole moment of Cl2.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
Keywords:Chlorine Bonding; Weakly Bound Complexes; Intermolecular Interaction
ID Code:48047
Deposited On:14 Jul 2011 06:49
Last Modified:14 Jul 2011 06:49

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