Vibrational spectra of alkali metal cyclopentadienides and force field calculation of free cyclopentadienyl anion

O. G. Garkusha, I. A. Garbuzova, B. V. Lokshin, J. Mink

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

Raman and IR spectra have been studied in detail for lithium, sodium and potassium cyclopentadienides in solid state and their tetrahydrofuran (THF) and hexamethylphosphoric triamide (HMPA) solutions. The vibrational frequencies of cyclopentadienyl (Cp) anion have been obtained. The normal coordinate analysis of Cp-anion is presented. The force field of Cp-anion have been calculated by variation to a small extent of benzene force field, which reveals proximity of their electronic structures. Analysis of the low-frequency spectrum has shown that the interion stretching vibration dependent upon the cation mass is observed only in the IR spectrum, while the Raman spectrum exhibits the tilt doubly-degenerate vibration of Cp-ring in spite of the fact that both vibrations are allowed in both IR and Raman spectra.

Original languageEnglish
Pages (from-to)165-170
Number of pages6
JournalJournal of Molecular Structure
Volume175
Issue numberC
DOIs
Publication statusPublished - 1988

Fingerprint

Alkali Metals
Alkali metals
Vibrational spectra
Vibration
alkali metals
vibrational spectra
field theory (physics)
Anions
Negative ions
anions
Raman scattering
Raman spectra
Hempa
vibration
Benzene
Lithium
Stretching
Electronic structure
Potassium
Cations

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

Vibrational spectra of alkali metal cyclopentadienides and force field calculation of free cyclopentadienyl anion. / Garkusha, O. G.; Garbuzova, I. A.; Lokshin, B. V.; Mink, J.

In: Journal of Molecular Structure, Vol. 175, No. C, 1988, p. 165-170.

Research output: Contribution to journalArticle

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AU - Mink, J.

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