l-Cysteine: Neutron spectroscopy, Raman, IR and ab initio study.
Inelastic incoherent neutron scattering (IINS) spectra were obtained at 10K for normal and deuterated l-cysteine. Raman and infrared spectra were also recorded. Geometry of l-cysteine molecule was optimized for the zwitterion form using ab initio HF/6-31G* level. The theoretical frequencies of normal and d(4)-l-cysteine were compared with INS, Raman and IR spectra. Normal coordinate analysis and band assignments based on ab initio calculations and experimental data are presented.
Frank Laboratory of Neutron Physics, Joint Institute of Nuclear Research, 141980 Dubna, Russia. andrzej@jinr.ru
A
A
Pawlukojć
J
J
Leciejewicz
A J
AJ
Ramirez-Cuesta
J
J
Nowicka-Scheibe
D003545:Cysteine / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009502:Neutrons; D013057:Spectrum Analysis; D014732:Vibration
D003545:Cysteine