Mass-analyzed threshold ionization spectroscopy of trans-o-methylanisole

被引:3
|
作者
Qin, Chen [1 ,2 ,3 ]
Tzeng, Sheng-Yuan [1 ]
Zhang, Bing [2 ]
Tzeng, Wen-Bih [1 ]
机构
[1] Acad Sinica, Inst Atom & Mol Sci, Lab Mass Spectrometr & Spectroscop Studies Biomol, Taipei 10617, Taiwan
[2] Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Hubei, Peoples R China
[3] Xinjiang Normal Univ, Sch Phys & Elect Engn, Key Lab Mineral Luminescent Mat & Microstruct Xin, Urumqi 830054, Peoples R China
关键词
o-Methylanisole; Resonant two-photon ionization; Vibronic spectrum; Mass-analyzed threshold ionization; Cation spectrum; RESONANT 2-PHOTON IONIZATION; MOLECULAR-ORBITAL METHODS; ELECTRONIC-TRANSITION; MATI SPECTROSCOPY; P-FLUOROANILINE; BASIS-SETS; ROTAMERS; CATIONS; ENERGY; S-1;
D O I
10.1016/j.jms.2018.11.016
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
In this study, we recorded the vibronic and cation spectra of trans-o-methylanisole by using resonant two-photon ionization and mass-analyzed threshold ionization techniques. The excitation energy of the S-1 <- S-0 transition and the adiabatic ionization energy were measured as 36,364 +/- 2 cm(-1) and 64,755 +/- 5 cm(-1), respectively. The red shifts of these values with respect to those of anisole and toluene indicated that the interactions of CH3 and OCH3 substituents with the ring are stronger in the electronically excited S-1 and cationic ground Do states than that in the electronically ground S o state. Most of the observed bands in the S-1 and D-0 states involve in-plane ring deformation and methyl internal rotation. The vibrational frequencies of modes 6b(1), 6a(l), and 1(1) were lower in the S-1 state than in the D-0 state. This suggested that trans-o-methylanisole is more rigid in the D-0 state than in the S-1 state. (C) 2018 Elsevier Inc. All rights reserved.
引用
收藏
页码:26 / 31
页数:6
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