Vibrational spectra of silatranes and germatranes XM(OCH2CH2)(3)N (X=F,Cl,H; M=Si,Ge). The problem of the theoretical prediction of condensed phase spectra

Igor S. Ignatyev, Tom Sundius

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume95
Pages (from-to)37-45
Number of pages9
ISSN1386-1425
DOIs
Publication statusPublished - 2012
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Silatranes
  • Germatranes
  • Vibrational spectra
  • DFT calculations
  • SQM method
  • AB-INITIO
  • MOLECULAR-STRUCTURE
  • FORCE-FIELDS
  • TRANSANNULAR INTERACTION
  • ELECTRON-DIFFRACTION
  • DATIVE BOND
  • DENSITY
  • 1-FLUOROSILATRANE
  • ANALOGS
  • ATRANES
  • 114 Physical sciences

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