期刊
JOURNAL OF CHEMICAL PHYSICS
卷 154, 期 18, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/5.0047724
关键词
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资金
- U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0019277]
- National Science Foundation [CHE 1856413]
- NSF Graduate Research Fellowship Program [DGE-1762114]
- Arnold and Mabel Beckman Foundation
- U.S. Department of Energy (DOE) [DE-SC0019277] Funding Source: U.S. Department of Energy (DOE)
The development of complete orientational response functions for a model system allows for simulation of polarization-selective 2D EV and 2D VE spectra with arbitrary combinations of linearly polarized electric fields. Analytical methods are proposed to isolate desired signals within complicated spectra and extract relative orientation between vibrational and vibronic dipole moments. Time-dependent peak amplitudes of coherence peaks are discussed as a means for isolating desired signals within the time-domain.
Two-dimensional Electronic-Vibrational (2D EV) spectroscopy and two-dimensional Vibrational-Electronic (2D VE) spectroscopy are among the newest additions to the coherent multidimensional spectroscopy toolbox, and they are directly sensitive to vibronic couplings. In this first of two papers, the complete orientational response functions are developed for a model system consisting of two coupled anharmonic oscillators and two electronic states in order to simulate polarization-selective 2D EV and 2D VE spectra with arbitrary combinations of linearly polarized electric fields. Here, we propose analytical methods to isolate desired signals within complicated spectra and to extract the relative orientation between vibrational and vibronic dipole moments of the model system using combinations of polarization-selective 2D EV and 2D VE spectral features. Time-dependent peak amplitudes of coherence peaks are also discussed as means for isolating desired signals within the time-domain. This paper serves as a field guide for using polarization-selective 2D EV and 2D VE spectroscopies to map coupled vibronic coordinates on the molecular frame.
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