Density functional theory study on sum-frequency vibrational spectroscopy of arabinose chiral solutions.
Using time-dependent density functional computations we calculate the doubly resonant IR-UV sum-frequency vibrational spectroscopy and sum-frequency vibrational spectroscopy off electronic resonance for D-arabinose solutions. In comparison with the experimental detection limit, the calculated doubly resonant IR-UV sum-frequency vibrational spectroscopy is strong enough to be detectable.
Zheng
Ren-hui
RH
State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing, People's Republic of China 100080. zrh@iccas.ac.cn
Wei
Wen-mei
WM
Shi
Qiang
Q
D001089:Arabinose / Q000737:chemistry*; D007536:Isomerism; D011789:Quantum Theory; D012996:Solutions / Q000737:chemistry; D013053:Spectrophotometry; D014732:Vibration
D012996:Solutions; D001089:Arabinose