Vibrational energy transport in molecules studied by relaxation-assisted two-dimensional infrared spectroscopy

Annual Review of Physical Chemistry
Natalia I Rubtsova, Igor V Rubtsov

Abstract

This review presents an overview of the relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy method for measuring structures and energy transport dynamics in molecules. The method strongly enhances the range of accessible distances compared to traditional 2DIR and offers new structural reporters, such as the energy transport time, cross-peak amplification factors, and connectivity patterns. The use of the method for assigning vibrational modes with various levels of delocalization is illustrated. RA 2DIR relies on vibrational energy transport in molecules; as such, the transport mechanism can be conveniently studied by the method. Applications to identify diffusive and ballistic energy transport are demonstrated.

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Citations

Oct 17, 2015·The Journal of Chemical Physics·David M Leitner, Hari Datt Pandey
Aug 26, 2015·Accounts of Chemical Research·Natalia I RubtsovaIgor V Rubtsov
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Methods Mentioned

BETA
chemical exchange spectroscopy
total
nuclear magnetic resonance

Software Mentioned

Gaussian
RA

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