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Titolo:
A quantitative study of non-Condon effects in the S2O (C)over-tilde ->(X)over-tilde emission spectrum
Autore:
Iachello, F; Perez-Bernal, F; Muller, T; Vaccaro, PH;
Indirizzi:
Yale Univ, Ctr Theoret Phys, New Haven, CT 06520 USA Yale Univ New Haven CT USA 06520 tr Theoret Phys, New Haven, CT 06520 USA Yale Univ, Dept Chem, New Haven, CT 06520 USA Yale Univ New Haven CT USA 06520 Univ, Dept Chem, New Haven, CT 06520 USA
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 15, volume: 112, anno: 2000,
pagine: 6507 - 6510
SICI:
0021-9606(20000415)112:15<6507:AQSONE>2.0.ZU;2-N
Fonte:
ISI
Lingua:
ENG
Soggetto:
ROTATION-VIBRATION-SPECTRA; ALGEBRAIC APPROACH; ABSORPTION-BAND; PHOTODISSOCIATION; MOLECULES; SCATTERING; DEPENDENCE; DECAY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
29
Recensione:
Indirizzi per estratti:
Indirizzo: Iachello, F Yale Univ, Ctr Theoret Phys, New Haven, CT 06520 USA Yale Univ New Haven CT USA 06520 hys, New Haven, CT 06520 USA
Citazione:
F. Iachello et al., "A quantitative study of non-Condon effects in the S2O (C)over-tilde ->(X)over-tilde emission spectrum", J CHEM PHYS, 112(15), 2000, pp. 6507-6510

Abstract

A novel technique has been developed for the quantitative study of vibronically-resolved transition intensities in polyatomic molecules beyond the Condon approximation. Matrix elements of coordinate-dependent transition moment operators are evaluated analytically with the pertinent vibrational wavefunctions obtained by means of Lie algebraic methods. Experimentally-observed S2O (C) over tilde (1)A(')-(X) over tilde (1)A(')(pi*-pi) emission intensities, in conjunction with previous Franck-Condon calculations, reveal pronounced non-Condon effects for vibronic bands terminating on higher-lying vibrational levels of the ground electronic state. The transition dipole moment is examined as a function of both the S-O and S-S local stretching coordinates. (C) 2000 American Institute of Physics. [S0021-9606(00)01615-9].

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Documento generato il 18/09/20 alle ore 17:14:25