A detailed analysis of some vibronic bands of the S-1 <-- S-0 electronic transition of 1,3-benzodioxole was carried out at high resolution. The rotational structures of these vibronic bands were completely assigned using a rigid rotor Hamiltonian model. From the rotational constants obtained by the assignment of the spectra it has been demonstrated that previous assignment of the spectrum was not completely satisfactory. The reassignment of the vibronic spectrum is necessary also for the correct first estimate of the entity of the anomeric effect in the S-1 electronic excited state. It is evidenced that the experimental data obtainable with the high resolution electronic spectroscopy are mandatory when assigning vibronic spectra of floppy molecules.
High resolution molecular beam spectroscopy of low frequency vibronic bands of the S1<--So electronic transition of 1,3-benzodioxole / G.PIETRAPERZIA; A.ZOPPI; M.BECUCCI; E.DROGHETTI; E.CASTELLUCCI. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 303 (1-3):(2004), pp. 143-150. [10.1016/j.cplett.2003.12.108]
High resolution molecular beam spectroscopy of low frequency vibronic bands of the S1<--So electronic transition of 1,3-benzodioxole.
PIETRAPERZIA, GIANGAETANO;BECUCCI, MAURIZIO;DROGHETTI, ENRICA;CASTELLUCCI, EMILIO MARIO
2004
Abstract
A detailed analysis of some vibronic bands of the S-1 <-- S-0 electronic transition of 1,3-benzodioxole was carried out at high resolution. The rotational structures of these vibronic bands were completely assigned using a rigid rotor Hamiltonian model. From the rotational constants obtained by the assignment of the spectra it has been demonstrated that previous assignment of the spectrum was not completely satisfactory. The reassignment of the vibronic spectrum is necessary also for the correct first estimate of the entity of the anomeric effect in the S-1 electronic excited state. It is evidenced that the experimental data obtainable with the high resolution electronic spectroscopy are mandatory when assigning vibronic spectra of floppy molecules.I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.