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Titolo:
Internal methyl group rotation in o-cresol studied by pulsed field ionization-ZEKE photoelectron spectroscopy
Autore:
Suzuki, K; Emura, Y; Ishiuchi, S; Fujii, M;
Indirizzi:
Inst Mol Sci, Grad Sch Adv Study, Okazaki, Aichi 4448585, Japan Inst Mol Sci Okazaki Aichi Japan 4448585 y, Okazaki, Aichi 4448585, Japan Waseda Univ, Grad Sch Sci & Engn, Dept Chem, Shinjuku Ku, Tokyo 169, JapanWaseda Univ Tokyo Japan 169 gn, Dept Chem, Shinjuku Ku, Tokyo 169, Japan
Titolo Testata:
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
fascicolo: 1-3, volume: 108, anno: 2000,
pagine: 13 - 20
SICI:
0368-2048(200007)108:1-3<13:IMGRIO>2.0.ZU;2-S
Fonte:
ISI
Lingua:
ENG
Soggetto:
ELECTRONICALLY EXCITED-STATE; KINETIC-ENERGY SPECTROSCOPY; P-FLUOROTOLUENE; CH3 GROUP; CATIONS; S-1; BARRIERS; SPECTRA; D-0; TOLUIDINE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
29
Recensione:
Indirizzi per estratti:
Indirizzo: Fujii, M Inst Mol Sci, Grad Sch Adv Study, Okazaki, Aichi 4448585, Japan Inst Mol Sci Okazaki Aichi Japan 4448585 i, Aichi 4448585, Japan
Citazione:
K. Suzuki et al., "Internal methyl group rotation in o-cresol studied by pulsed field ionization-ZEKE photoelectron spectroscopy", J ELEC SPEC, 108(1-3), 2000, pp. 13-20

Abstract

Pulsed field ionization-ZEKE photoelectron spectroscopy and (1+1) R2PI spectroscopy have been applied to cis- and trans-o-cresol. The internal rotational structure in S-1 has been re-assigned for the cis-isomer, and the potential curve for the internal rotation has been determined. In the PFI-ZEKE spectra recorded via different internal rotational levels in the S-1 state,well-resolved low-frequency bands have been observed. The low-frequency bands are assigned to the internal rotational motion of the methyl group in the cation. Level energies and relative transition intensities are reproduced well by a one-dimensional rotor model with a three-fold axis potential. Potential curves for the internal rotation have been determined for both cis- and trans-o-cresol cations. The barrier height for the internal rotation is different for the two isomers in the cation, while it becomes similar inS-1. Contributions of steric and electronic factors to the rotational barrier are discussed. (C) 2000 Elsevier Science B.V. All rights reserved.

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Documento generato il 20/09/20 alle ore 03:07:41