N-乙基丙酰胺的飞秒二维红外光谱

利用飞秒二维红外实验方法, 结合稳态红外光谱实验和计算化学手段, 对β-肽模型分子N-乙基丙酰胺(NEPA)的超快结构动力学进行了研究. 结果表明, 在水溶液中, NEPA具有类α-肽酰胺-I 带的振动特征, 并表现出对分子结构和化学环境的灵敏性. 二维红外光谱动力学结果揭示了一个1 ps 左右的光谱扩散时间, 与酰胺-水之间的氢键结构动力学时间尺度一致.

Femtosecond Two-Dimensional Infrared Spectroscopy of N-Ethypropionamide

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.