ISSN:
0040-5744
Keywords:
Key words: Absorption spectra
;
Emission spectra
;
p-N
;
N-dimethylaminobenzonitrile
;
Self-consistent reaction field
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary. A self-consistent reaction field (SCRF) method that accounts for full electronic relaxation of the initial and final state in an electron transition is derived. The absorption and emission spectra of p-N,N-dimethylaminobenzonitrile (DMABN) and 6-cyanobenzquinuclidine (CBQ) are calculated in different solvents as a test of the method. The results from the fully relaxed SCRF method compare very well with results from a first-order relaxation SCRF model as well as with the experimental absorption and emission spectra of the two molecules considered in detail in this work.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113543
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