Page 44 - Book of Invited & Keynotes Talks

th
8 Biannual Conference on Chemistry - CHEM 08

Excited-State Dynamics of Some Laser Dyes and Flavors of E-
Cigarettes

M. S. A. Abdel-Mottaleb

Department of Chemistry, Faculty of Science, Ain Shams University, 11566
Abbassia, Cairo, Egypt

ABSTRACT
Dynamic properties involving excited states such as absorption spectra, fluorescence
and phosphorescence rates and spectra of five coumarin laser dyes and three alpha
diketones that are used as flavors of electronic cigarettes are computed. The vibronic
coupling are considered. The obtained results are compared with the experimentally
available data in the literature. The computations are performed within the excited-
state dynamics (ESD) modules involved in Orca 4.2.1 package [1].

The lecture will focus on discussing the new theoretically calculated photophysical
results of the aforementioned materials and its significance in designing new
materials of potential applications.

References:

[1] https://orcaforum.kofo.mpg.de/app.php/dlext/

BOOK OF INVITED SPEAKERS & KEYNOTES CHEM 08 (2020) Page 44