Resonance Raman Active Vibrations of Rubredoxin. Normal Coordinate Analysis of a 423-Atom Model

1991 ◽  
Vol 64 (3) ◽  
pp. 829-836 ◽  
Author(s):  
Hiroshi Saito ◽  
Takeo Imai ◽  
Kaori Wakita ◽  
Akio Urushiyama ◽  
Tatsuhiko Yagi
Keyword(s):  
Resonance Raman ◽  
Normal Coordinate Analysis ◽  
Normal Coordinate ◽  
Atom Model

The infrared, Raman, and resonance Raman spectra and normal coordinate analysis of methyl and ethyl dithioacetate

1982 ◽  
Vol 60 (2) ◽  
pp. 174-189 ◽  
Author(s):  
J. J. C. Teixeira-Dias ◽  
V. M. Jardim-Barreto ◽  
Y. Ozaki ◽  
A. C. Storer ◽  
P. R. Carey
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Resonance Raman ◽  
Normal Coordinate Analysis ◽  
Raman Intensity ◽  
Normal Coordinate ◽  
Intensity Enhancement ◽  
Strong Intensity ◽  
Resonance Raman Spectra ◽  
Absorbance Peak

Infrared, Raman, and resonance Raman data are reported for ethyl and methyl dithioacetate together with data for their isotopically substituted analogs: CD3C(=S)SCH3, CH3C(=S)SCD3, 13CH3C(=S)SCH3, CH313C(=S)SCH3, CD3C(=S)SCH2CH3, CH3C(=S)SCD2CH3, and CH313C(=S)SCH2CH3. Based on these data and a normal coordinate analysis of methyl dithioacetate, assignments are proposed for the majority of bands appearing in the vibrational spectra. Using excitation wavelengths in the 324–356 nm region strong intensity enhancement is observed for Raman bands near 1195, 1100, 730, and 580 cm−1 which are assigned to stretching motions of the CCSSC skeleton. Raman excitation profiles are reported for the 1197 and 581 cm−1 bands of ethyl dithioacetate and the electronic absorbance peak near 305 nm is identified as the source of resonance Raman intensity enhancement.

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