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Article

Thermodynamic Studies of Bromine−Iodine Competition in the Formation of NaSnXYZ (X, Y, Z, = Br or I) Complexes

Supporting Info

Julia Saloni,^†^‡ Szczepan Roszak,^†^‡ Miroslaw Miller,^§ and Jerzy Leszczynski*^†

Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, Mississippi 39217, Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wybrzee Wyspiaskiego 27, 50-370 Wroclaw, Poland, and Chemical Department, Wroclaw University of Technology, Wybrzee Wyspiaskiego 27, 50-370 Wroclaw, Poland

J. Phys. Chem. A, 2007, 111 (37), pp 9139–9144

DOI: 10.1021/jp071313k

Publication Date (Web): August 28, 2007

†

Jackson State University.

‡

Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology.

Chemical Department, Wroclaw University of Technology.

Corresponding author.

Abstract

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.

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