VIBRONIC COUPLING OF THE ALLYL RADICAL EXCITED-STATES

被引：27

作者：

GETTY, JD ^{[1
]}

LIU, XM ^{[1
]}

KELLY, PB ^{[1
]}

机构：

[1] UNIV CALIF DAVIS,DEPT CHEM,DAVIS,CA 95616

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1992年 / 96卷 / 25期

关键词：

D O I：

10.1021/j100204a014

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The nature of the allyl radical excited states has been examined by resonance Raman spectroscopy. Fundamentals of non-totally symmetric normal modes are observed in the Raman spectra. The occurrence and intensity in non-totally symmetric fundamentals is indicative of B-term scattering due to vibronic coupling. Analysis of the vibronic coupling is performed in terms of the Kramers-Heisenberg-Dirac formalism. The Raman spectra indicate that the vibronic coupling is from the weakly allowed 1B-2(2) state to either a molecular state arising from a combination of 3p atomic carbon orbitals or a valence state via non-totally symmetric vibrational modes. The vibrational frequencies for nu9 and nu12 in the 1B-2(2) state have been determined to be 596 and 564 cm-1 respectively.

引用

页码：10155 / 10160

页数：6

共 34 条

[1] ELECTRONIC SPECTRA OF FREE ALLYL RADICAL AND SOME OF ITS SIMPLE DERIVATIVES [J].