Citation: CHEN Hai-Long, BIAN Hong-Tao, ZHENG Jun-Rong. Determining 3D Molecular Conformations with Ultrafast Multiple-Dimensional Vibrational Spectroscopy[J]. Acta Physico-Chimica Sinica, ;2017, 33(1): 40-62. doi: 10.3866/PKU.WHXB201609192
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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.
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