Citation: SHI Ji-Pei, ZHAO Juan, YANG Fan, WANG Jian-Ping. Femtosecond Two-Dimensional Infrared Spectroscopy of N-Ethypropionamide[J]. Acta Physico-Chimica Sinica doi: 10.3866/PKU.WHXB201302213 shu

Femtosecond Two-Dimensional Infrared Spectroscopy of N-Ethypropionamide

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 Date: 21 December 2012
Available Online: 21 February 2013
Fund Project: 国家自然科学基金 (21173231, 91121020, 20727001) 和中国科学院&ldquo (21173231, 91121020, 20727001)

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.
- N-ethypropionamide,
- Femtosecond two-dimensional infrared spectroscopy,
- Anharmonic vibration,
- Molecular dynamics simulation
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