title: Electronic Circular Dichroism Spectroscopy of Jet-Cooled Phenylalanine and Its Hydrated Clusters.
abstract: We obtained resonant two-photon ionization circular dichroism (R2PICD) spectra of jet-cooled phenylalanine (Phe) and its hydrated clusters (Phe(H2O)n, n = 1-2) near the origin band of the S0-S1transition. The R2PICD spectra of Phe exhibit well-resolved CD bands of six different conformers present in the jet, which vary in sign and magnitude depending on their conformations. We revised the previous structural assignments of the Phe conformers based on the comparison between the experimental and theoretical CD signs, infrared spectra, and rotational band contours. The R2PICD spectra of Phe(H2O)nreveal that hydration with one or two water molecule(s) does not affect the CD signs of Phe conformers but significantly increases their CD magnitudes. Furthermore, conformational selection by solvation alters relative populations of Phe conformers, leading to a sign inversion in the CD spectra of Phe(H2O)ncompared with that of Phe monomer.
authors: Department of Chemistry, Chungbuk National University , Chungbuk 28644, Korea.
authors: Aram
authors: A
authors: Hong
authors: Department of Chemistry, Chungbuk National University , Chungbuk 28644, Korea.
authors: Heeseon
authors: H
authors: Jang
authors: Department of Chemistry, Chungbuk National University , Chungbuk 28644, Korea.
authors: Changseop
authors: C
authors: Jeong
authors: Mass Spectrometry & Advanced Instrument Group, Korea Basic Science Institute , Ochang Center, Chungbuk 28119, Korea.
authors: Myoung Choul
authors: MC
authors: Choi
authors: Department of Biomedical Technology, Sangmyung University , Chungnam 31066, Korea.
authors: Jiyoung
authors: J
authors: Heo
authors: Department of Chemistry, Chungbuk National University , Chungbuk 28644, Korea.
authors: Nam Joon
authors: NJ
authors: Kim