Vibrations and theoretical calculations of p-methylanisole in the first electronically excited S1 and ionic ground D0 states.
One-color (1C), two-color (2C) resonant two-photon ionization (R2PI), and mass analyzed threshold ionization (MATI) methods have been applied to study the S(1)<--S(0) transition and threshold ionization of p-methylanisole. The excitation energy of the S(1)<--S(0) transition is determined to be 35,401+/-2 cm(-1), the adiabatic ionization energy of this molecule is measured to be 63,965+/-15 and 63,972+/-5 cm(-1) by the 2C-R2PI and MATI methods. Most of the observed R2PI and MATI bands result from the in-plane ring vibrations. The frequencies of vibrations 9b, 1 and 7a are measured to be 393, 800 and 1168 cm(-1) in the S(1) state, and 412, 811 and 1220 cm(-1) in the D(0) state, respectively. This indicates the molecular structure in the D(0) state is more rigid than that in the S(1) state.
Huang
Jiangou
J
College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China. xiaomeijiangou@yahoo.com.cn
Tzeng
Wenbih
W
D000840:Anisoles / Q000737:chemistry*; D003116:Color; D004583:Electrons; D007834:Lasers; D008962:Models, Theoretical; D015394:Molecular Structure; D017785:Photons; D013057:Spectrum Analysis / Q000379:methods; D014050:Toluene / Q000737:chemistry; D014466:Ultraviolet Rays; D014732:Vibration
D000840:Anisoles; C008412:4-methyl anisole; D014050:Toluene; C060998:anisole