Vibrational frequencies of cysteine and serine zwitterions-an ab initio assignment

P. Tarakeshwar, S. Manogaran

Research output: Contribution to journalArticle

48 Scopus citations

Abstract

The vibrational frequencies of cysteine and serine zwitterions are evaluated using ab initio methods at the 4-31G* level. The calculated frequencies along with the corresponding potential energy distributions are used to assign the IR and Raman spectra of the zwitterions of l-cysteine and d,l-serine. The calculated Raman activities, IR intensities along with the experimental Raman optical activities of these amino acids are used as aids in the assignments. The similarities and differences between the spectra of these amino acids are highlighted.

Original languageEnglish (US)
Pages (from-to)925-928
Number of pages4
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume51
Issue number5
DOIs
StatePublished - May 1995
Externally publishedYes

ASJC Scopus subject areas

  • Analytical Chemistry
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

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