Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution

Linear and nonlinear vibrational spectra

Kijeong Kwac, Hochan Lee, Minhaeng Cho

Research output: Contribution to journalArticle

113 Citations (Scopus)

Abstract

Recently, as a novel tool for structure determination of polypeptides, a variety of two-dimensional (2D) vibrational spectroscopies were experimentally used and theoretically proposed. Among such applications of multidimensional coherent vibrational spectroscopies to various problems, it was shown that the 2D IR pump-probe spectroscopy can be used to directly probe solvation dynamics of amides. This paper presents molecular dynamics simulation results on linear and nonlinear vibrational spectroscopies of the NMA-methanol solution.

Original languageEnglish
Pages (from-to)1477-1490
Number of pages14
JournalJournal of Chemical Physics
Volume120
Issue number3
DOIs
Publication statusPublished - 2004 Jan 15

Fingerprint

Vibrational spectroscopy
Vibrational spectra
Amides
vibrational spectra
amides
Methanol
methyl alcohol
Statistics
statistics
spectroscopy
Solvation
Molecular dynamics
probes
polypeptides
Pumps
Spectroscopy
solvation
Peptides
Computer simulation
pumps

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Non-Gaussian statistics of amide I mode frequency fluctuation of N-methylacetamide in methanol solution : Linear and nonlinear vibrational spectra. / Kwac, Kijeong; Lee, Hochan; Cho, Minhaeng.

In: Journal of Chemical Physics, Vol. 120, No. 3, 15.01.2004, p. 1477-1490.

Research output: Contribution to journalArticle

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