Title of article :
Time-resolved infrared emission spectra of naphthalene under gas phase laboratory and astrophysical conditions
Author/Authors :
Parneix، نويسنده , , P. and Basire، نويسنده , , M. and Calvo، نويسنده , , F.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2012
Abstract :
The relaxation of neutral naphthalene C10H8 upon electronic excitation is theoretically modeled as a function of time by considering infrared emission cascade in competition with statistical dissociation, within the framework of kinetic Monte Carlo simulations. The possible importance of collisional energy transfer with a surrounding low-density medium is evaluated, and shown to agree with existing measurements.
Keywords :
Polycyclic aromatic hydrocarbons , molecular modeling , Infrared emission , Unimolecular dissociation
Journal title :
Computational and Theoretical Chemistry
Journal title :
Computational and Theoretical Chemistry