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Extracting Frequency-Frequency Correlation Function from Two-Dimensional Infrared Spectroscopy: Peak Shift Measurement
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  • Extracting Frequency-Frequency Correlation Function from Two-Dimensional Infrared Spectroscopy: Peak Shift Measurement
  • Extracting Frequency-Frequency Correlation Function from Two-Dimensional Infrared Spectroscopy: Peak Shift Measurement
저자명
Kwak. Kyung-Won
간행물명
Bulletin of the Korean Chemical Society
권/호정보
2012년|33권 10호|pp.3391-3396 (6 pages)
발행정보
대한화학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
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기타언어초록

Two-dimensional infrared (2D-IR) spectroscopy can probe the fast structural evolution of molecules under thermal equilibrium. Vibrational frequency fluctuation caused by structural evolution produced the time-dependent line shape change in 2D-IR spectrum. A variety of methods has been used to connect the evolution of 2D-IR spectrum with Frequency-Frequency Correlation Function (FFCF), which connects the experimental observables to a molecular level description. Here, a new method to extract FFCF from 2D-IR spectra is described. The experimental observable is the time-dependent frequency shift of maximum peak position in the slice spectrum of 2D-IR, which is taken along the excitation frequency axis. The direct relation between the 2D-IR peak shift and FFCF is proved analytically. Observing the 2D-IR peak shift does not need the full 2D-IR spectrum which covers 0-1 and 1-2 bands. Thus data collection time to determine FFCF can be reduced significantly, which helps the detection of transient species.