We report the vibronic and cation spectra of four rotamers of m-methoxystyrene, recorded by using the two-color resonant two-photon ionization and mass-analyzed threshold ionization techniques. The excitation energies of the S1← S0 electronic transition are found to be 32 767, 32 907, 33 222, and 33 281 cm−1, and the corresponding adiabatic ionization energies are 65 391, 64 977, 65 114, and 64 525 cm−1 for these isomeric species. Most of the observed active vibrations in the electronically excited S1 and cationic ground D0 states involve in-plane ring deformation and substituent-sensitive bending motions. It is found that the relative orientation of the methoxyl with respect to the vinyl group does not influence the vibrational frequencies of the ring-substituent bending modes. The two dimensional potential energy surface calculations support our experimental finding that the isomerization is restricted in the S1 and D0 states.
Skip Nav Destination
,
,
,
,
,
Article navigation
28 March 2015
Research Article|
March 31 2015
Identification of four rotamers of m-methoxystyrene by resonant two-photon ionization and mass analyzed threshold ionization spectroscopy Available to Purchase
Yanqi Xu;
Yanqi Xu
1
Institute of Atomic and Molecular Sciences
, Academia Sinica, P.O. Box 23-166, 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan
4State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics,
Chinese Academy of Sciences
, Wuhan 430071, China
Search for other works by this author on:
Sheng Yuan Tzeng;
Sheng Yuan Tzeng
1
Institute of Atomic and Molecular Sciences
, Academia Sinica, P.O. Box 23-166, 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan
Search for other works by this author on:
Vidya Shivatare;
Vidya Shivatare
1
Institute of Atomic and Molecular Sciences
, Academia Sinica, P.O. Box 23-166, 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan
3Department of Chemistry,
National Tsing Hua University, Hsinchu and Taiwan International Graduate Program, Academia Sinica
, Taipei, Taiwan
Search for other works by this author on:
Kaito Takahashi;
Kaito Takahashi
1
Institute of Atomic and Molecular Sciences
, Academia Sinica, P.O. Box 23-166, 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan
Search for other works by this author on:
Bing Zhang;
Bing Zhang
4State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics,
Chinese Academy of Sciences
, Wuhan 430071, China
Search for other works by this author on:
Wen Bih Tzeng
Wen Bih Tzeng
a)
1
Institute of Atomic and Molecular Sciences
, Academia Sinica, P.O. Box 23-166, 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan
2Department of Chemistry,
National Taiwan Normal University
, 88, Sec. 4, Tingzhou Road, Taipei 11677, Taiwan
Search for other works by this author on:
Yanqi Xu
1,4
Sheng Yuan Tzeng
1
Vidya Shivatare
1,3
Kaito Takahashi
1
Bing Zhang
4
Wen Bih Tzeng
1,2,a)
1
Institute of Atomic and Molecular Sciences
, Academia Sinica, P.O. Box 23-166, 1, Section 4, Roosevelt Road, Taipei 10617, Taiwan
4State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics,
Chinese Academy of Sciences
, Wuhan 430071, China
3Department of Chemistry,
National Tsing Hua University, Hsinchu and Taiwan International Graduate Program, Academia Sinica
, Taipei, Taiwan
2Department of Chemistry,
National Taiwan Normal University
, 88, Sec. 4, Tingzhou Road, Taipei 11677, Taiwan
a)
Author to whom correspondence should be addressed. Electronic mail: [email protected]. Tel.: +886-2-23668236. Fax: +886-2-23620200.
J. Chem. Phys. 142, 124314 (2015)
Article history
Received:
January 23 2015
Accepted:
March 11 2015
Citation
Yanqi Xu, Sheng Yuan Tzeng, Vidya Shivatare, Kaito Takahashi, Bing Zhang, Wen Bih Tzeng; Identification of four rotamers of m-methoxystyrene by resonant two-photon ionization and mass analyzed threshold ionization spectroscopy. J. Chem. Phys. 28 March 2015; 142 (12): 124314. https://doi.org/10.1063/1.4916052
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
Related Content
Mass-analyzed Threshold Ionization Spectroscopy of Rotamers of p-ethoxyphenol Cations and Configuration Effect
Chin. J. Chem. Phys. (December 2009)
Mass-analyzed threshold ionization spectroscopy of the rotamers of p-n -propylphenol cations and configuration effect
J. Chem. Phys. (January 2005)
Investigating the ground-state rotamers of n-propylperoxy radical
J. Chem. Phys. (November 2016)
A rotamer energy level study of sulfuric acid
J. Chem. Phys. (October 2013)