Hf. Hameka et al., FLUORESCENCE OF CYSTEINE AND CYSTINE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(2), 1998, pp. 361-367
We interpret the UV absorption and fluorescence of cysteine and cystin
e from ab initio calculations of the ground states and lowest excited
singlet states of the two molecules. We derive the optimized energies
and geometry parameters from HF/6-31G computations on the ground state
and CIS/6-31G computations of the excited state. We present vibration
al frequencies of the ground and excited states and quantitative predi
ctions for UV absorption and fluorescence. We also show experimental m
easurements of cystine fluorescence. Cystine is shown to fluoresce at
700 nm.