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Vibrational spectra and theoretical calculations of p-chlorophenol in the electronically excited S-1 and ionic ground D-0 states
Huang, Jianhan1,3; Huang, Kelong1; Liu, Suqin1; Luo, Qiong1; Tzeng, Wenbih2
关键词1c-r2pi 2c-r2pi Mati Band Origin Ie Isotope Effect
刊名JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
2008-01-25
DOI10.1016/j.jphotochem.2007.07.002
193期:2-3页:245-253
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical
研究领域[WOS]Chemistry
关键词[WOS]ANALYZED THRESHOLD IONIZATION ; DISPERSED FLUORESCENCE-SPECTRA ; AB-INITIO ; ROTATIONAL ISOMERS ; MULTIPHOTON IONIZATION ; MOLECULAR-STRUCTURES ; CL-37 ISOTOPOMERS ; SPECTROSCOPY ; JET ; EXCITATION
英文摘要With the good mass resolution (ml Delta m) of about 650, the Cl-35 and Cl-37 isotoporners of p-chlorophenol have been separated successfully in our home made time of flight mass spectrometer (TOF-MS). One-color (I Q, two-color (2C), resonant two-photon ionization (R2PI), and mass analyzed threshold ionization (MATI) spectra of the both isotopomers have been further recorded. Within the detection limit of our experiment, the band origins of the S-1 <- S-0 transition and the adiabatic ionization energies (IE) of Cl-35 and Cl-37 p-chlorophenol are measured to be the same. The band origins of the two isotopic species are determined to be 34813 +/- 2 cm(-1) by the 1C-R2PI experiment, and the adiabatic IE values are given to be 68094 15 and 68104 5 cm-1 by the 2C-R2PI and MATI methods for the two isotopomers of Cl-35 and Cl-37 p-chlorophenol. Analysis on the S-1 <- S-0 transition energy of para substituted phenols suggests that the band origins are all red shifted from phenol regardless of the nature of the substituent, while the inductive effect plays an important role for the Do S, transition process. The spectral properties of the two isotopomers in the electronically excited S, and ionic ground Do states are similar, whereas the vibrational frequencies of some modes are slightly different by a few wavenumbers, displaying the isotope effect. (C) 2007 Elsevier B.V. All rights reserved.
语种英语
WOS记录号WOS:000252910100022
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文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/141149
专题中国科学院大连化学物理研究所
作者单位1.Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Peoples R China
2.Acad Sinica, Inst Atom & Mol Sci, Taipei 10617, Taiwan
3.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100080, Peoples R China
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Huang, Jianhan,Huang, Kelong,Liu, Suqin,et al. Vibrational spectra and theoretical calculations of p-chlorophenol in the electronically excited S-1 and ionic ground D-0 states[J]. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,2008,193(2-3):245-253.
APA Huang, Jianhan,Huang, Kelong,Liu, Suqin,Luo, Qiong,&Tzeng, Wenbih.(2008).Vibrational spectra and theoretical calculations of p-chlorophenol in the electronically excited S-1 and ionic ground D-0 states.JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,193(2-3),245-253.
MLA Huang, Jianhan,et al."Vibrational spectra and theoretical calculations of p-chlorophenol in the electronically excited S-1 and ionic ground D-0 states".JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 193.2-3(2008):245-253.
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