The Low-Lying Electronic States of NO2: Potential Energy and Dipole Surfaces, Bound States, and Electronic Absorption Spectrum

2021 ◽  
Author(s):  
Steve Ndengué ◽  
Ernesto Quintas-Sánchez ◽  
Richard Dawes ◽  
David Osborn
Keyword(s):  
Absorption Spectrum ◽  
Potential Energy ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Bound States ◽  
Electronic States

scholarly journals Computational simulation and interpretation of the low-lying excited electronic states and electronic spectrum of thioanisole

2015 ◽  
Vol 17 (31) ◽  
pp. 20093-20099 ◽  
Author(s):  
Shaohong L. Li ◽  
Xuefei Xu ◽  
Donald G. Truhlar
Keyword(s):  
Wave Function ◽  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Density Functional ◽  
Computational Simulation ◽  
Electronic States ◽  
Excited Electronic States ◽  
Density Functional Methods ◽  
Functional Methods

Low-lying excited electronic states of thioanisole are calculated by various wave function and density functional methods. Electronic absorption spectrum is simulated and interpreted.

Ortho effects on the change in electronic absorption spectrum of pyridinium salts of saturated bromohydrocarbon

2009 ◽  
Vol 74 (5) ◽  
pp. 1084-1089 ◽  
Author(s):  
Jin-Ling Song ◽  
Li-Ming Gong ◽  
Shou-Ai Feng ◽  
Jiang-Hong Zhao ◽  
Jian-Feng Zheng ◽  
...  
Keyword(s):  
Absorption Spectrum ◽  
Electronic Absorption Spectrum ◽  
Electronic Absorption ◽  
Pyridinium Salts

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.

Sign in / Sign up

Export Citation Format

Share Document