High resolution photofragment translational spectroscopy studies of the near ultraviolet photolysis of imidazole.

作者: Adam L Devine , Bríd Cronin , Michael GD Nix , Michael NR Ashfold , None

DOI: 10.1063/1.2364504

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摘要: The fragmentation dynamics of gas phase phenol molecules following excitation at many wavelengths in the range 279.145⩾λphot⩾206.00nm have been investigated by H Rydberg atom photofragment translational spectroscopy. Many total kinetic energy release (TKER) spectra so derived show structure, analysis which confirms importance O–H bond fission and reveals that resulting phenoxyl cofragments are formed a very limited subset their available vibrational state density. Spectra recorded λphot⩾248nm feature centered TKER ∼6500cm−1. These fragments, no recoil anisotropy, rationalized terms initial S1←S0 (π*←π) excitation, subsequent dissociation via two successive radiationless transitions: internal conversion to ground (S0) levels carrying sufficient stretch allow efficient transfer towards, passage around, conical intersection (CI) between S0 S2(π1σ*) potential surfaces (PESs) la...

参考文章(64)
H.D. Bist, J.C.D. Brand, D.R. Williams, The 2750-Å band system of phenol Journal of Molecular Spectroscopy. ,vol. 24, pp. 413- 467 ,(1967) , 10.1016/0022-2852(67)90105-1
H.D. Bist, J.C.D. Brand, D.R. Williams, The 2750-Å electronic band system of phenol: Part I. The in-plane vibrational spectrum Journal of Molecular Spectroscopy. ,vol. 21, pp. 76- 98 ,(1966) , 10.1016/0022-2852(66)90123-8
M K el-Deeb, G T Babcock, B A Barry, P O Sandusky, Tyrosine radicals in photosystem II and related model compounds. Characterization by isotopic labeling and EPR spectroscopy Journal of Biological Chemistry. ,vol. 265, pp. 20139- 20143 ,(1990) , 10.1016/S0021-9258(17)30480-5
Gerhard Herzberg, Klaus-Peter Huber, Constants of diatomic molecules ,(1979)
Chien-Ming Tseng, Yuan T. Lee, Chi-Kung Ni, H atom elimination from the πσ* state in the photodissociation of phenol Journal of Chemical Physics. ,vol. 121, pp. 2459- 2461 ,(2004) , 10.1063/1.1781153
G. A. Pino, C. Dedonder-Lardeux, G. Grégoire, C. Jouvet, S. Martrenchard, D. Solgadi, Intracluster hydrogen transfer followed by dissociation in the phenol–(NH3)3 excited state: PhOH(S1)–(NH3)3→PhO•+(NH4)(NH3)2 Journal of Chemical Physics. ,vol. 111, pp. 10747- 10749 ,(1999) , 10.1063/1.480437
Shun-ichi Ishiuchi, Kota Daigoku, Kenro Hashimoto, Masaaki Fujii, Four-color hole burning spectra of phenol/ammonia 1:3 and 1:4 clusters Journal of Chemical Physics. ,vol. 120, pp. 3215- 3220 ,(2004) , 10.1063/1.1640352
G. Grégoire, C. Dedonder-Lardeux, C. Jouvet, S. Martrenchard, A. Peremans, D. Solgadi, Picosecond Hydrogen Transfer in the Phenol-(NH3)n=1-3 Excited State Journal of Physical Chemistry A. ,vol. 104, pp. 9087- 9090 ,(2000) , 10.1021/JP001475F
Luis Serrano-Andres, Manuela Merchan, Ignacio Nebot-Gil, Bjoern O. Roos, Markus Fulscher, Theoretical Study of the Electronic Spectra of Cyclopentadiene, Pyrrole, and Furan Journal of the American Chemical Society. ,vol. 115, pp. 6184- 6197 ,(1993) , 10.1021/JA00067A038
Muhamad Martoprawiro, George B. Bacskay, John C. Mackie, Ab Initio Quantum Chemical and Kinetic Modeling Study of the Pyrolysis Kinetics of Pyrrole Journal of Physical Chemistry A. ,vol. 103, pp. 3923- 3934 ,(1999) , 10.1021/JP984358H