Citation
F. Negri et G. Orlandi, ON THE ANALYSIS OF THE PHOSPHORESCENCE SPECTRUM OF C-70, Journal of physics. B, Atomic molecular and optical physics, 29(21), 1996, pp. 5077-5085
Citations number
40
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
Journal title
ISSN journal
09534075
Volume
29
Issue
21
Year of publication
1996
Pages
5077 - 5085
Database
ISI
SICI code
0953-4075(1996)29:21<5077:OTAOTP>2.0.ZU;2-D
Abstract
The phosphorescence spectrum of C-70, recently obtained in an alcane m
atrix at low temperature, has been modelled by means of semi-empirical
quantum-chemical calculations. The T-1 --> S-0 transition is symmetry
as well as spin-multiplicity forbidden. The spectrum is successfully
analysed in terms of the Herzberg-Teller mechanism combined with spin-
orbit interactions. Its vibrational structure appears to be dominated
by false origins due to modes of e'(1) symmetry.