Conformations and structures of 1,4-pentadien-3-ol and its water complex characterized by rotational spectroscopy

Zhen Wang,Yugao Xu,Wenqin Li,Tao Lu,Gang Feng

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy（2022）

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摘要

•1,4-Pentadien-3-ol and its monohydrate were characterized.•Structure of the monomer and the water complex were obtained.•OH···Ow and OwH···π stabilize the monohydrate.

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关键词

Microwave spectroscopy,Ab-initio calculations,Conformational analysis,Hydrogen bond,Transient chirality

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