Journal
JOURNAL OF RAMAN SPECTROSCOPY
Volume 40, Issue 6, Pages 632-638Publisher
WILEY
DOI: 10.1002/jrs.2175
Keywords
cysteine zwitterion; solid and solution Raman spectrum; SERS; DFT; Ag cluster
Categories
Funding
- FONDECYT [1070078]
- DFG [RK 1630/8-2]
Ask authors/readers for more resources
Raman spectra in solid and 1 M solution Of L-cysteine and surface-enhanced Raman scattering (SERS) spectra of this molecule in the zwitterionic form, by using colloidal silver nanoparticles, have been recorded. Density functional theory with the B3LYP functional was used for the optimizations of the ground state geometries and simulation of the vibrational spectrum of this amino acid. The SERS spectrum with a large silver cluster as a model metallic surface was simulated for the first time. Taking into account the experimental and calculated Raman and SERS vibrations and the corresponding assignments, as well as a comparison of force constants and geometrical parameters between the free zwitterion cysteine and the one in the presence of the colloidal silver nanoparticles, we can confirm the presence of gauche (P-H) and trans (P-N) rotamers in the solid state, the formation of a S-S bond in the solution state, the dissociation of the peptide bond and mixing of rotamers because of the SERS effect, and the relative importance of the interaction of sulphyldryl, NH3+, and carboxylate groups with the metallic surface. Copyright (C) 2009 John Wiley & Sons, Ltd.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available