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.
Pawlukojć
A
A
Frank Laboratory of Neutron Physics, Joint Institute of Nuclear Research, 141980 Dubna, Russia. andrzej@jinr.ru
Leciejewicz
J
J
Ramirez-Cuesta
A J
AJ
Nowicka-Scheibe
J
J
D003545:Cysteine / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D009502:Neutrons; D013057:Spectrum Analysis; D014732:Vibration
D003545:Cysteine