Abstract
The phosphorescence spectrum of , recently obtained in an alcane matrix at low temperature, has been modelled by means of semi-empirical quantum-chemical calculations. The 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 symmetry.
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More From: Journal of Physics B: Atomic, Molecular and Optical Physics
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