Acta Phys. -Chim. Sin. ›› 2013, Vol. 29 ›› Issue (04): 695-700.doi: 10.3866/PKU.WHXB201302213

• THERMODYNAMICS, KINETICS, AND STRUCTURAL CHEMISTRY • Previous Articles     Next Articles

Femtosecond Two-Dimensional Infrared Spectroscopy of N-Ethypropionamide

SHI Ji-Pei, ZHAO Juan, YANG Fan, WANG Jian-Ping   

  1. Beijing National Laboratory for Molecular Sciences, Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P. R. China
  • Received:2012-12-21 Revised:2013-02-06 Published:2013-03-25
  • Supported by:

    The project was supported by the National Natural Science Foundation of China (21173231, 91121020, 20727001) and Hundred Talent Project of the Chinese Academy of Sciences.

Abstract:

Femtosecond two-dimensional infrared (2D IR) spectroscopy, steady-state infrared spectroscopy, and computational methods are used to examine the ultrafast structural dynamics of a β-peptide model compound, N-ethylpropionamide (NEPA). NEPA has amide-I vibrational characteristics similar to that in an α-peptide, which shows sensitivity to molecular structure and chemical environment. The 2D IR spectral dynamics reveal a spectral diffusion time of ~1 ps, which is believed to be consistent with the time scale of the structural dynamics of the amide-water hydrogen bond.

Key words: N-ethypropionamide, Femtosecond two-dimensional infrared spectroscopy, Anharmonic vibration, Molecular dynamics simulation

MSC2000: 

  • O643