Molecular structure of CeI3 from gas-phase electron diffraction and vibrational spectroscopy

Judit Molnár, Rudy J M Konings, M. Kolonits, M. Hargittai

Research output: Contribution to journalArticle

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Abstract

CeI3 was investigated by electron diffraction and infrared spectroscopy, both in the gas phase, at high temperature (around 1270 K). The geometrical parameters are: rg(Ce-I) 2.948 ± 0.009 Å and rg(I ⋯ I) 4.943 ± 0.032 Å. One absorption band was detected in the stretching region of the spectrum and we have assigned it to the asymmetric stretch, v3 = 191 ± 10 cm-1. The unusually large uncertainty is due to the large population of excited vibrational and rotational levels. From the very low intensity band at the lower detection limit of the spectrometer, we can conclude that neither v2 nor v4 is above 35 cm-1. From the analysis of electron diffraction data and vibrational spectra we conclude that the molecule is very likely planar or at most slightly pyramidal (quasiplanar).

Original languageEnglish
Pages (from-to)223-229
Number of pages7
JournalJournal of Molecular Structure
Volume375
Issue number3
Publication statusPublished - 1996

Fingerprint

Vibrational spectroscopy
Molecular Structure
Electron diffraction
Molecular structure
Spectrum Analysis
molecular structure
electron diffraction
Gases
Electrons
vapor phases
Vibrational spectra
vibrational spectra
spectroscopy
Stretching
Uncertainty
Limit of Detection
Spectrometers
Absorption spectra
Infrared spectroscopy
infrared spectroscopy

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Computational Theory and Mathematics

Cite this

Molecular structure of CeI3 from gas-phase electron diffraction and vibrational spectroscopy. / Molnár, Judit; Konings, Rudy J M; Kolonits, M.; Hargittai, M.

In: Journal of Molecular Structure, Vol. 375, No. 3, 1996, p. 223-229.

Research output: Contribution to journalArticle

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