Density functional theory calculations of structure, FT-IR and Raman spectra of S-phenyl thioacetate

Article ID	Journal	Published Year	Pages	File Type
1233549	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy	2011	6 Pages	PDF

Abstract

âº FT-IR and Raman spectra are reported for S-phenyl thioacetate. âº The syn conformer of S-phenyl thioacetate with C1 symmetry is most stable. âº The IR and Raman spectra of S-phenyl thioacetate are recorded and assigned.

Keywords

Raman spectra Infrared spectra Density functional theory

Related Topics

Physical Sciences and Engineering Chemistry Analytical Chemistry

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Density functional theory calculations of structure, FT-IR and Raman spectra of S-phenyl thioacetate

Authors

Xiaopeng Xuan, Yingling Wang, Na Wang,