Research Interests Research Interests

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In our quantum multidimensional infrared (QMDIR) spectroscopy laboratory, we are constructing a femtosecond broadband two-dimensional infrared (2D IR) spectroscopic technique that is relevant to condensed-phase chemistry, physics, and biology. 2D IR spectroscopy can provide a chemical-bond level description of a molecular complex with ultrafast time resolution. Recent 2D IR experimental and theoretical studies have shown that many anharmonic vibrational parameters are sensitive to molecular structure and dynamics. With the broadband technique, pairs of remote chemical bonds can be targeted and studied simultaneously, allowing one to describe the time-dependence of structural changes of the molecular complex in detail. It is expected to gain new insights into fundamental issues of ultrafast structural dynamics, chemical reactions, and protein folding and misfolding events. Our long-term goal is to establish multidimensional spectroscopic technique to other wavelength ranges, such as near IR, visible, and X-rays.

Our research also takes advantage of modern quantum chemical computations and (ab initio or classical) molecular dynamics simulations, which allow us to predict anharmonic vibrational parameters, to understand and to simulate broadband 2D IR spectra (Figure 1), as well as to follow the structural evolution of a condensed-phase molecular complex on the ultrafast time scale.

                                       

Recent publications:  

  1. Donghai Li, Fan Yang, Chen Han, Juan Zhao, and Jianping Wang, "Correlated high-frequency molecular motions in neat liquid probed with ultrafast overtone two-dimensional infrared spectroscopy", J. Phys. Chem. Lett. 2012, 3, 3665-3670.
  2. Fan Yang, Pengyun Yu, Juan Zhao, and Jianping Wang, "Simultaneously Probing Two Ultrafast Condensed-Phase Molecular Symmetry Breaking Events by Two-Dimensional Infrared Spectroscopy", Chem. Phys. Chem. 2013, 14, 2497-2504.
  3. Jianping Wang, "Ab initio-based all-mode two-dimensional infrared spectroscopy of a sugar molecule", J. Phys. Chem. B (Letter) 2007, 111, 9193-9196.