Polarization-Angle-Scanning Two-Dimensional Spectroscopy: Application to Dipeptide Structure Determination
- Authors
- Choi, Jun-Ho; Cho, Minhaeng
- Issue Date
- 28-4월-2011
- Publisher
- AMER CHEMICAL SOC
- Citation
- JOURNAL OF PHYSICAL CHEMISTRY A, v.115, no.16, pp.3766 - 3777
- Indexed
- SCIE
SCOPUS
- Journal Title
- JOURNAL OF PHYSICAL CHEMISTRY A
- Volume
- 115
- Number
- 16
- Start Page
- 3766
- End Page
- 3777
- URI
- https://scholar.korea.ac.kr/handle/2021.sw.korea/112626
- DOI
- 10.1021/jp106458j
- ISSN
- 1089-5639
- Abstract
- Coherent two-dimensional optical spectroscopy based on a heterodyne-detected stimulated photon echo measurement technique requires four ultrashort pulses whose pulse-to-pulse defy times, wavevectors, and frequencies are experimentally controllable variables. In the polarization directions of the four radiations can also be arbitrarily adjusted. We show that the polarization-angle-scanning two-dimensional spectroscopy can be of effective use to selectively suppress either all the diagonal peaks or a cross-peak in a given two-dimensional spectrum. Theoretical relationships between the transition dipole vectors of a given pair of coupled modes or quantum transitions and the polarization angle configuration making the corresponding cross-peak vanish are established. Here, to shed light into the underlying principles of the Polarization-angle-scanning two-dimensional spectroscopy, we considered the amide I vibrations of various isotope-labeled dipeptide conformers and show that one can selectively suppress a cross-peak by properly controlling the polarization angle of a chosen beam among them. Once the relative directions of the amide I transition dipole vectors are determined using the polarization-angle-scanning technique theoretically proposed here, they can serve as a set of constraints for determining structures of model peptides, The present work demonstrates that the polarization-controlled two-dimensional vibrational or electronic spectroscopy can provide invaluable information on intricate details of molecular structure's.
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