ChemInform Abstract: MOLECULAR CONFORMATION OF AZA-SUBSTITUTED BENZANILIDES BY ELECTRONIC ABSORPTION SPECTRA AND DIPOLE MOMENTS

1976 ◽  
Vol 7 (19) ◽  
pp. no-no
Author(s):  
S. FASONE ◽  
G. BUEMI ◽  
D. GRASSO ◽  
C. GANDOLFO
1970 ◽  
Vol 66 ◽  
pp. 769 ◽  
Author(s):  
Israel Agranat ◽  
Zvi Rappoport ◽  
Hannah Weiler-Feilchenfeld

1976 ◽  
Vol 54 (12) ◽  
pp. 1870-1874 ◽  
Author(s):  
Concetta Gandolfo ◽  
Giuseppe Buemi ◽  
Domenico Grasso ◽  
Salvatore Fasone

The electronic spectra of three diazafluoren-9-one isomers have been measured in cyclohexane solution and the results compared with those of 'molecules in molecules'(MIM) and PPP calculations. A satisfactory agreement between experimental and theoretical data has been found, and five π → π* transitions can be assigned to their uv spectra. For two compounds dipole moments in benzene solution have been measured and results are compared with theoretical values obtained by MIM and CNDO/2 calculations.


1970 ◽  
Vol 18 (3) ◽  
pp. 177-183 ◽  
Author(s):  
V. A. Gubanov ◽  
L. A. Pereliaeva ◽  
A. K. Chirkov ◽  
R. O. Matevosian

2011 ◽  
Vol 2011 ◽  
pp. 1-8 ◽  
Author(s):  
Hussein Moustafa ◽  
M. F. Shibl ◽  
Rifaat Hilal ◽  
Laila I. Ali ◽  
Sheimaa Abdel Halim

The electronic absorption spectra of triazolo pyrimidine and some of its derivatives were measured in polar as well as nonpolar solvents. Assignment of the observed transitions is facilitated via molecular orbital calculations. Charge density distributions, dipole moments, and the extent of delocalization of the MOS were used to interpret the observed solvent effects. The observed transitions are assigned as charge transfer (CT), localized, and delocalized according to the contribution of the various configurations in the CI-states. The correspondence between the calculated and experimental transition energies is satisfactory.


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