Acta Phys. -Chim. Sin. ›› 2017, Vol. 33 ›› Issue (1): 40-62.doi: 10.3866/PKU.WHXB201609192

• REVIEW • Previous Articles     Next Articles

Determining 3D Molecular Conformations with Ultrafast Multiple-Dimensional Vibrational Spectroscopy

Hai-Long CHEN2,Hong-Tao BIAN3,Jun-Rong ZHENG1,*()   

  1. 1 Beijing National Laboratory for Molecular Sciences, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P. R. China
    2 Beijing National Laboratory for Condensed Matter Physics and CAS Key Laboratory of Soft Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, P. R. China
    3 School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an 710119, P. R. China
  • Received:2016-07-22 Published:2016-12-29
  • Contact: Jun-Rong ZHENG
  • Supported by:
    The project was supported by the AFOSR YIP Award, USA(FA9550-11-1-0070);and an AFOSR MURI grant, USA(FA9550-15-1-0022);the Welch Foundation, USA(C-1752);NSF USA(CHE-1503865);ACS PRF, USA;Packard fellowship, USA;and Sloan fellowship, USA


In recent years, ultrafast multiple-dimensional vibrational spectroscopy has been widely applied to studies of molecular structures and ultrafast dynamics in various condensed phases, and is expected to become a new generation of routine analytical tool for determining microstructures and ultrafast behaviors in molecular systems. In this review, we introduce in detail a method of determining three-dimensional (3D) molecular conformations with ultrafast multiple-dimensional vibrational spectroscopy. The introduction of our research follows two directions:(1) obtaining relative spatial orientations of different groups in a molecular system and finally determining molecular conformations by measuring cross angles of vibrational transition dipole moments; and (2) exploring the nature of vibrational energy transfers and determining molecular distances with experimentally measured vibrational energy transfer rates.

Key words: Multiple-dimensional vibrational spectroscopy, Ultrafast spectroscopy, 2D infrared spectroscopy, Molecular conformation, Vibrational energy transfer


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