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

Zita Neizer, Zoltán Varga, Gábor Jancsó, Magdolna Hargittai

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

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 (US)
Pages (from-to)641-648
Number of pages8
JournalStructural Chemistry
Volume18
Issue number5
DOIs
StatePublished - Oct 1 2007

Keywords

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

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