title: The discovery of the hydrogen bond from p-Nitrothiophenol by Raman spectroscopy: Guideline for the thioalcohol molecule recognition tool.
abstract: Inter- and intra- molecular hydrogen bonding plays important role in determining molecular structure, physical and chemical properties, which may be easily ignored for molecules with a non-typical hydrogen bonding structure. We demonstrated in this paper that the hydrogen bonding is responsible for the different Raman spectra in solid and solution states of p-Nitrothiophenol (PNTP). The consistence of the theoretical calculation and experiment reveals that the intermolecular hydrogen bonding yields an octatomic ring structure (8) of PNTP in the solid state, confirmed by the characteristic S-H---O stretching vibration mode at 2550 cm-1; when it comes to the solution state, the breakage of hydrogen bond of S-H---O induced the S-H stretching vibration at 2590 cm-1. Our findings may provide a simple and fast method for identifying the intermolecular hydrogen bonding.
authors.affiliation: Key Laboratory of Analysis and Detection Technology for Food Safety, Ministry of Education, College of Chemistry, Fuzhou University, Fuzhou 350108, China.
authors.forename: Yun
authors.initials: Y
authors.lastname: Ling
authors.affiliation: Key Laboratory of Analysis and Detection Technology for Food Safety, Ministry of Education, College of Chemistry, Fuzhou University, Fuzhou 350108, China.
authors.forename: Wen Chang
authors.initials: WC
authors.lastname: Xie
authors.affiliation: State Key Laboratory of Marine Environmental Science, College of the Environment and Ecology, Xiamen University, Xiamen, 361002, China.
authors.forename: Guo Kun
authors.initials: GK
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, China.
authors.forename: Run Wen
authors.initials: RW
authors.lastname: Yan
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, China.
authors.forename: De Yin
authors.initials: Y
authors.lastname: Wu
authors.affiliation: Key Laboratory of Analysis and Detection Technology for Food Safety, Ministry of Education, College of Chemistry, Fuzhou University, Fuzhou 350108, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Tang