Vibrational spectroscopy of the mass-selected tetrahydrofurfuryl alcohol monomers and its dimers in gas phase using IR depletion and VUV single photon ionization
作者单位：MOE Key Laboratory of Laser Life Science & Institute of Laser Life ScienceCollege of BiophotonicsSouth China Normal University
会议名称：《第十五届全国化学动力学会议》
会议日期：2017年
学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学]
关 键 词：Tetrahydrofurfuryl alcohol Tetrahydrofurfuryl alcohol’s dimer Gas-phase IR spectroscopy Hydrogen bonding
摘 要：Tetrahydrofurfuryl alcohol(THFA,CHO) is a close chemical analog of the sugar rings present in the phosphate-deoxyribose backbone structure of the nucleic *** present report,the infrared(IR) spectra of the size-selected THFA monomer and its dimer have been investigated in a pulsed supersonic jet using infrared-vacuumultraviolet(VUV) ***,the laser light at 118 nmwavelength served as the source of soft ionization in a time-of-flight mass *** IR features for the monomers located at 3622 cm can be assigned to the intramolecular hydrogen bonding stretch vibrations mainly referring to A and C *** with the monomer,however,characteristic peaks for the dimer centered at 3415 and 3453 cm,red shifted 207 and 169 cm,respectively,were associated with the intermolecular hydrogen bonding stretch *** with the quantum-chemical calculations,the dimer in the gas phase preferred cyclic AC conformer stabled by forming two strong intermolecular hydrogen bonds,which shown the high hydrogen bond selectivity in the *** conclusions drawn from the role played in the conformational flexibility by the hydroxyl and ether groups may be extended to other biomolecules.