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Thermodynamic studies of bromine-iodine competition in the formation of NaSnXYZ (X, Y, Z, = Br or I) complexes.

Saloni J, Roszak S, Miller M, Leszczynski J

Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, Mississippi 39217, USA.

The thermodynamic studies of NaSnXYZ (X, Y, Z = Br or I) are presented. The determined theoretical structures and vibrational properties lead to improved experimental values of dissociation enthalpies and entropies. The ab initio thermodynamic data is also reported. The nature of bonding of binary SnXY-NaZ complexes is discussed with the emphasis on differences between bromine and iodine.

Published 13 September 2007 in J Phys Chem A, 111(37): 9139-44.
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