Biomechanics Research Today is a free monthly online journal that collates and summarizes the latest research about Biomechanics, including details on mechanics of living organisms, movement, locomotion, prosthetic limbs.

Vibrations and theoretical calculations of p-methylanisole in the first electronically excited S1 and ionic ground D0 states.

Huang J, Tzeng W

College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China. xiaomeijiangou@yahoo.com.cn

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.

Published 29 May 2007 in Spectrochim Acta A Mol Biomol Spectrosc, 67(3): 824-9.
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