Your browser doesn't support javascript.
loading
Integrated approach for modeling the emission fluorescence of 4-(N,N-dimethylamino)benzonitrile in polar environments.
Carlotto, Silvia; Polimeno, Antonino; Ferrante, Camilla; Benzi, Caterina; Barone, Vincenzo.
Afiliação
  • Carlotto S; Dipartimento di Scienze Chimiche, Universita degli Studi di Padova, Via Marzolo 1-35131 Padova, Italy.
J Phys Chem B ; 112(27): 8106-13, 2008 Jul 10.
Artigo em Inglês | MEDLINE | ID: mdl-18553896
ABSTRACT
A stochastic model for the interpretation of the emission fluorescence of 4-( N, N-dimethylamino)benzonitrile (DMABN) is discussed. We proceed by reviewing the stochastic modeling approach ( Polimeno, A. ; Barbon, A. ; Nordio, P. L. ; Rettig, W. J. Phys. Chem. 1994, 98, 12158 ), in which internal degrees of freedom are coupled with an effective solvent relaxation variable. Potential energy surfaces are obtained using a reliable but computationally cost-effective quantum mechanical (QM) approach, and estimates of dissipative parameters are calculated on the basis of direct hydrodynamic arguments. Emission fluorescence is estimated by solving numerically a diffusion/sink/source equation for the stationary population of excited state and compared to emission fluorescence of DMABN measured experimentally.

Similares

MEDLINE

...
LILACS

LIS

Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: MEDLINE Idioma: Inglês Revista: J Phys Chem B Assunto da revista: Química Ano de publicação: 2008 Tipo de documento: Artigo País de afiliação: Itália