A many‐body approach to the vibrational structure in molecular electronic spectra. II. Application to nitrogen, carbon monoxide, and formaldehyde

1976 ◽  
Vol 64 (2) ◽  
pp. 612-625 ◽  
Author(s):  
W. Domcke ◽  
L. S. Cederbaum
Keyword(s):  
Carbon Monoxide ◽  
Electronic Spectra ◽  
Vibrational Structure ◽  
Many Body ◽  
Molecular Electronic

Method of calculating band shape for molecular electronic spectra

1998 ◽  
Vol 19 (7) ◽  
pp. 781-796 ◽  
Author(s):  
Greg M. Pearl ◽  
M. C. Zerner ◽  
Anders Broo ◽  
John McKelvey
Keyword(s):  
Electronic Spectra ◽  
Molecular Electronic ◽  
Band Shape

The electronic spectra of phenyl radicals

1965 ◽  
Vol 287 (1411) ◽  
pp. 457-470 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Ground State ◽  
Electronic Spectra ◽  
Flash Photolysis ◽  
Visible Region ◽  
Electronic Configuration ◽  
Vibrational Structure ◽  
Fundamental Frequencies

An electronic absorption spectrum, attributed to phenyl, has been observed in the visible region with origin at 18 908 cm -1 after flash photolysis of benzene and halogenobenzenes. Similar spectra of fluoro, chloro and bromo phenyl are observed after flash photolysis of disubstituted benzenes. The vibrational structure of the phenyl spectrum has been analysed in terms of two fundamental frequencies at 571 and 896 cm -1 which correspond to the e 2 g and a 1 g frequencies of the B 2 u state of benzene. The ground state of phenyl has a π 6 n electronic configuration and the observed transition is interpreted as 2 A 1 → 2 B 1 resulting from a π → n excitation.

Vibrational Structure in the Electronic Spectra of C60 and Fullerene Derivatives as Studied by Time-Dependent Density Functional Theory

2019 ◽  
Vol 2 (12) ◽  
pp. 121-132
Author(s):  
Alexey A. Popov ◽  
Vitaly Korepanov ◽  
Vladimir M. Senyavin ◽  
Sergey Troyanov ◽  
B. S. Razbirin ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Spectra ◽  
Density Functional ◽  
Vibrational Structure ◽  
Time Dependent ◽  
Functional Theory ◽  
Fullerene Derivatives ◽  
Dependent Density

Algebraic Model for Molecular Electronic Spectra

1991 ◽  
pp. 173-186 ◽  
Author(s):  
A. Frank ◽  
R. Lemus ◽  
F. Iachello
Keyword(s):  
Electronic Spectra ◽  
Algebraic Model ◽  
Molecular Electronic
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