The isotope effect on the Raman spectrum of molecular CM60

Jose Menendez, J. B. Page, S. Guha

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

High-resolution Raman spectra of solutions of C60in CS2reveal the presence of13C isotopes in the C60molecules. The observed frequency shifts for the high-energy Ag(2) totally symmetric mode can be explained in terms of first-order non-degenerate perturbation theory. Information on the frequencies of modes close to Ag(2) is obtained by studying the conditions under which a nondegenerate perturbation expansion is valid. This is done with the help of non- perturbative calculations based on first-principles and empirical vibrational models.

Original languageEnglish (US)
Pages (from-to)651-659
Number of pages9
JournalPhilosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties
Volume70
Issue number3
DOIs
StatePublished - 1994

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Isotopes
isotope effect
Raman scattering
Raman spectra
frequency shift
isotopes
perturbation theory
perturbation
expansion
high resolution
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Chemical Engineering(all)

Cite this

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AB - High-resolution Raman spectra of solutions of C60in CS2reveal the presence of13C isotopes in the C60molecules. The observed frequency shifts for the high-energy Ag(2) totally symmetric mode can be explained in terms of first-order non-degenerate perturbation theory. Information on the frequencies of modes close to Ag(2) is obtained by studying the conditions under which a nondegenerate perturbation expansion is valid. This is done with the help of non- perturbative calculations based on first-principles and empirical vibrational models.

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