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

Research output: Contribution to journalArticle

47 Citations (Scopus)

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 - Jan 1 1995
Externally publishedYes

Fingerprint

zwitterions
cysteine
Vibrational spectra
Serine
Cysteine
amino acids
Amino acids
Optical Rotation
Amino Acids
optical activity
Potential energy
Raman scattering
energy distribution
potential energy
Raman spectra

ASJC Scopus subject areas

  • Analytical Chemistry
  • Medicine(all)
  • Atomic and Molecular Physics, and Optics
  • Instrumentation
  • Spectroscopy

Cite this

Vibrational frequencies of cysteine and serine zwitterions-an ab initio assignment. / Pilarisetty, Tarakeshwar; Manogaran, S.

In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 51, No. 5, 01.01.1995, p. 925-928.

Research output: Contribution to journalArticle

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