Probabilities of electronic transitions in excited molecules of benzene derivatives

1969 ◽  
Vol 3 (1) ◽  
pp. 63-63
Author(s):  
V. M. Berenfel'd ◽  
V. A. Kronganz
Keyword(s):  
Electronic Transitions ◽  
Benzene Derivatives ◽  
Excited Molecules

Theoretical Study of Some Benzene Derivatives in Water

2008 ◽  
Vol 59 (9) ◽  
Author(s):  
Mihaela Dimitriu ◽  
Elena Filip ◽  
Ionel Humelnicu
Keyword(s):  
Aromatic Compounds ◽  
Theoretical Study ◽  
Dipole Moments ◽  
Point Of View ◽  
Electronic Transitions ◽  
Benzene Derivatives ◽  
Chemical Parameters ◽  
Physico Chemical ◽  
Influence Of Water ◽  
Total Energies

Using the HyperChem programme, the influence of water on the properties of some monosubstituted aromatic compounds was studied from the point of view of the intermolecular interactions. There have been estimated some physico-chemical parameters of the benzene, fluorobenzene, chlorobenzene, bromobenzene, iodobenzene, nitrobenzene, phenol and aniline when solved in water, surrounded by one or two solvation spheres. The boundary lengths, total energies, border levels energy, dipole moments, polarizabilities, wavelengths and the probabilities of the electronic transitions have been obtained.

Excited state properties of nitrobenzene derivatives

1979 ◽  
Vol 57 (16) ◽  
pp. 2167-2171 ◽  
Author(s):  
Giuseppe Buemi ◽  
Salvatore Millefiori ◽  
Felice Zuccarello ◽  
Arcangelo Millefiori
Keyword(s):  
Excited State ◽  
Gas Phase ◽  
Methoxy Group ◽  
Dipole Moments ◽  
Electronic Transitions ◽  
Benzene Derivatives ◽  
Shift Method ◽  
Solvent Shift ◽  
Disubstituted Benzene ◽  
Absorption Features

Gas-phase and solution spectra of methoxy nitroanilines are reported. MIM and PPP configuration analyses were used to calculate the properties associated with the electronic transitions. The excited state dipole moments associated with the first intense electronic transition were evaluated by the solvent shift method. The spectra of the title compounds are tentatively correlated with those of the corresponding disubstituted benzene derivatives. The effect of the methoxy group on the absorption features of the isomeric nitroanilines is briefly discussed.

3d-4s and 3d-4p electronic transitions in M2+ : NaF AND M2+ : KMgF3 (Μ = V, Cr, and Mn). Results of a cluster-model calculation

1987 ◽  
Vol 84 ◽  
pp. 855-861 ◽  
Author(s):  
M. Flórez ◽  
M. Bermejo ◽  
V. Luaña ◽  
E. Francisco ◽  
J.M. Recio ◽  
...  
Keyword(s):  
Model Calculation ◽  
Cluster Model ◽  
Electronic Transitions

Coefficients of molecular homeomorphism and crystalline isomorphism in the series of para-disubstituted benzene derivatives

1991 ◽  
Vol 88 ◽  
pp. 509-514 ◽  
Author(s):  
MA Cuevas Diarte ◽  
T Calvet ◽  
M Labrador ◽  
E Estop ◽  
HAJ Oonk ◽  
...  
Keyword(s):  
Benzene Derivatives ◽  
Disubstituted Benzene
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