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- Kim, Yung Sam
- Ultrafast 2D IR Spectroscopy Lab.
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Structural and Dynamical Characteristics of D2O in CHCl3 Investigated by 2D IR
- Author(s)
- Kwon, Hyejin, Seol, Jin Gyu, Kim, Yung Sam
- Issued Date
- 2022-10-21
- Citation
- 130th General Meeting of the Korean Chemical Society
- Abstract
- D2O dissolved in CHCl3 was investigated by two-dimensional infrared (2D IR) spectroscopy to investigate the structure and dynamics of highly isolated water molecules. The symmetric (vs) and asymmetric (va) OD stretch modes of D2O in CHCl3 appear at 2740 and 2637 cm-1, respectively. The two modes showed strong cross-peaks arising from a coupling of −50 cm-1. The projection angle between the transition dipoles of the two modes obtained from polarization-dependent 2D IR spectra was ~100 degrees, further reproduced by the numerically simulated 2D IR spectra. The two modes also show inter-mode energy transfer on a timescale of ~7 ps with a population relaxation time of ~70 ps.
- Publisher
- Korean Chemical Society
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