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Ultrafast N–H vibrational dynamics of hydrogen-bonded cyclic amide reveal by 2DIR spectroscopy
Chemical Physics ( IF 2.3 ) Pub Date : 2018-10-05 , DOI: 10.1016/j.chemphys.2018.10.003
Kiran Sankar Maiti

Hydrogen-bonding strongly influences the vibrational dynamics of the N–H stretch vibration, hence the molecular structure and dynamics. Therefore the N–H stretch vibration is an important probe to study hydrogen-bond dynamics as well as the molecular structure and dynamics, specially for the biological molecule. In this article, the dynamics and couplings of N–H stretching vibrations of biological molecules are investigated with linear infrared spectroscopy and ultrafast two-dimensional infrared (2DIR) spectroscopy with a model molecule 2-Pyrrolidinone. In solution, 2-Pyrrolidinone makes three different kinds of intermolecular hydrogen bonding, whose spectra have been collected with FTIR as well as with 2DIR spectroscopy and discussed. Inter-molecular hydrogen bond making and breaking between N–H and C=O vibrational bands are discussed also.



中文翻译:

氢键合环酰胺的超快NH振动动力学由2DIR光谱显示

氢键强烈影响N–H拉伸振动的振动动力学,从而影响分子结构和动力学。因此,N–H拉伸振动是研究氢键动力学以及分子结构和动力学的重要探针,特别是对于生物分子。在本文中,通过线性红外光谱和模型分子2-吡咯烷酮的超快二维红外(2DIR)光谱研究了生物分子的N–H拉伸振动的动力学和耦合。在溶液中,2-吡咯烷酮形成三种不同的分子间氢键,其光谱已通过FTIR和2DIR光谱进行了收集和讨论。还讨论了NH和C = O振动带之间的分子间氢键的产生和断裂。

更新日期:2018-10-06
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