Theoretical thermodynamics and the nature of interactions of the quasi-binary NaCl-SnCl(2) system.
The formation of NaSnX(3) (X = halogen) influences the sodium concentration in metal halide lamps making the thermodynamics of such reactions critical for technological developments. Theoretical predictions of the structure and vibrational properties of the quasi-binary NaCl-SnCl(2) system lead to thermodynamical data determined through the third law evaluation. Ab initio enthalpy and entropy of dissociation of NaSnCl(3) also is reported. Additionally, insight into the nature of chemical bonding is provided by electron population analysis and the interaction energy decomposition scheme.
Saloni
Julia
J
Computational Center for Molecular Structure and Interactions, Jackson State University, Jackson, Mississippi 39217, USA.
Roszak
Szczepan
S
Miller
Miroslaw
M
Leszczynski
Jerzy
J