Theoretical Thermodynamics and the Nature of Interactions of the Quasi-Binary NaCl−SnCl2 System

Autor:	Julia Saloni, Miroslaw Miller, Szczepan Roszak, Jerzy Leszczynski
Rok vydání:	2006
Předmět:	Entropy (classical thermodynamics) Chemical bond Chemistry Halogen Enthalpy Ab initio Halide Thermodynamics Non-equilibrium thermodynamics Interaction energy Physical and Theoretical Chemistry
Zdroj:	The Journal of Physical Chemistry A. 110:12535-12539
ISSN:	1520-5215 1089-5639
DOI:	10.1021/jp065180z
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a37ed6ef48273809cd36f3f99d06a2a https://doi.org/10.1021/jp065180z Zobrazit plný text záznamu