Identification of four rotamers of m-methoxystyrene by resonant two-photon ionization and mass analyzed threshold ionization spectroscopy

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...

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Bibliographic Details
Published in:The Journal of chemical physics 2015-03, Vol.142 (12), p.124314-124314
Main Authors: Xu, Yanqi, Tzeng, Sheng Yuan, Shivatare, Vidya, Takahashi, Kaito, Zhang, Bing, Tzeng, Wen Bih
Format: Article
Language:English
Subjects:
BENDING
CATIONS
COLOR
Computer Simulation
D STATES
EXCITATION
GROUND STATES
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
Isomerism
ISOMERIZATION
MASS
METHOXY RADICALS
Models, Chemical
Molecular Structure
ORIENTATION
PHOTOIONIZATION
POTENTIAL ENERGY
S STATES
SPECTROSCOPY
Spectrum Analysis - methods
STYRENE
Styrene - chemistry
SURFACES
TWO-DIMENSIONAL SYSTEMS
Vibration
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Summary: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.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4916052