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 shu

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

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 Date: 22 July 2016
Revised Date: 16 September 2016

Fund Project: The project was supported by the AFOSR YIPAward, USA (FA9550-11-1-0070) and an AFOSR MURI grant, USA (FA9550-15-1-0022), theWelch 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.
- Multiple-dimensional vibrational spectroscopy,
- Ultrafast spectroscopy,
- 2D infrared spectroscopy,
- Molecular conformation,
- Vibrational energy transfer
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