Vibrational Signature of Dynamic Coupling of a Strong Hydrogen Bond
Shukang Jiang, Mingzhi Su, Shuo Yang, Chong Wang, Qian‐Rui Huang, Gang Li, Hua Xie, Jiayue Yang, Guorong Wu, Weiqing Zhang, Zhaojun Zhang, Jer‐Lai Kuo, Zhifeng Liu, Dong H. Zhang, Xueming Yang, Ling Jiang
Abstract
is observed for trimethylamine-water, while the dramatic reduction of this progression in the trimethylamine-methanol spectrum offers direct experimental evidence for the dynamic couplings. State-of-the-art quantum mechanical calculations reveal that such dynamic couplings are originated from strong Fermi resonance between the stretches of hydrogen-bonded OH and several motions of the solvent water/methanol, such as translation, rocking, and bending, which are significant in various solvated complexes commonly found in atmospheric and biological systems.