ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The spectroscopically parameterized CNDO/S3 model is used to provide a quantitative description of the valence electron photoemission, ultraviolet absorption, and twisted intramolecular charge transfer fluorescence in N,N-dimethylaniline, p-cyano-N,N-dimethylaniline, and 3-methyl-4-cyano-N,N-dimethylaniline. Additionally, the CNDO/S3 density of valence states was used to determine a twist angle of 30° for both N,N-dimethylaniline and p-cyano-N,N-dimethylaniline via the analysis of gas phase photoelectron spectra.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.453139
Permalink