Vapor phase tin diiodide: Its structure and thermodynamics, a computational study

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8 Citations (Scopus)

Abstract

The molecular structure and vibrational characteristics of monomeric and dimeric tin diiodide, SnI2 and Sn2I4, were determined by high-level computational methods. For the dimer molecule two low-energy geometries were found, one with C s and the other with C 2v symmetry, the former with somewhat lower energy; their relative energy is strongly dependent on the computational method. Thermodynamic functions for both species and their dimerization reaction were calculated based on the computed structures.

Original languageEnglish
Pages (from-to)641-648
Number of pages8
JournalStructural Chemistry
Volume18
Issue number5
DOIs
Publication statusPublished - Oct 1 2007

Keywords

  • Dimers
  • Group 14 dihalides
  • Molecular structure
  • Monomers
  • Thermodynamic properties
  • Tin diiodide

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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