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.

Determination of ground and excited state dipole moments of some naphthols using solvatochromic shift method

2011 ◽  
Vol 163 (3) ◽  
pp. 141-146 ◽  
Author(s):  
R. Gahlaut ◽  
N. Tewari ◽  
J.P. Bridhkoti ◽  
N.K. Joshi ◽  
H.C. Joshi ◽  
...  
Keyword(s):  
Excited State ◽  
Dipole Moments ◽  
Solvatochromic Shift ◽  
Shift Method ◽  
Solvatochromic Shift Method ◽  
Excited State Dipole Moments

Experimental Determination of Dipole Moments of Some Benzamide Derivatives

1998 ◽  
Vol 53 (8) ◽  
pp. 684-688
Author(s):  
J. Heidt ◽  
J. R. Heidt ◽  
M. Raciniewskab
Keyword(s):  
Excited State ◽  
Experimental Determination ◽  
Gas Phase ◽  
Electronic Absorption ◽  
Dipole Moments ◽  
Absorption Bands ◽  
Excited State Dipole Moments ◽  
Benzamide Derivatives

Abstract The excited state dipole moments of some benzamide derivatives are determined. The method of solvent induced shifts of electronic absorption bands in comparison with their positions in the gas phase is used. Some regular trends revealed in the obtained data are discussed. The present results are compared with those available in the literature.

Solvent effect on the dipole moments and photo physical behaviour of 2,5-di-(5-tert-butyl-2-benzoxazolyl) thiophene dye

2013 ◽  
Vol 91 (12) ◽  
pp. 1107-1113 ◽  
Author(s):  
J.S. Kadadevarmath ◽  
G.H. Malimath ◽  
N.R. Patil ◽  
H.S. Geethanjali ◽  
R.M. Melavanki
Keyword(s):  
Excited State ◽  
Room Temperature ◽  
Dipole Moments ◽  
Emission Spectra ◽  
Solvent Polarity ◽  
Solvatochromic Shift ◽  
Shift Method ◽  
Tert Butyl ◽  
Solvatochromic Shift Method ◽  
Polarity Parameter

The absorption and emission spectra of fluorescent thiophene dye, namely, 2,5-di-(5-tert-butyl-2-benzoxazolyl) thiophene, have been recorded at room temperature in solvents of different polarities. The excited state dipole moments (μe) were estimated from Lippert’s, Bakhshiev’s, and Kawski–Chamma–Viallet’s equations using the variation of Stoke’s shift with the solvent dielectric constant and refractive index. The optimized geometry of the molecule and μg were calculated theoretically by Gaussian 03 software using B3LYP/6-31g* level of theory. The μg and μe were calculated by means of solvatochromic shift method and μe was determined in combination with μg. It was observed that μe were higher than those of the μg, indicating a substantial redistribution of the π-electron densities in a more polar excited state for the selected thiophene dye. Further, the change in the dipole moment (Δμ) was calculated both from solvatochromic shift method and on the basis of microscopic empirical solvent polarity parameter [Formula: see text] and values are compared.

Isomer discrimination of disubstituted benzene derivatives through gas-phase iron(I) ion reactions in a Fourier-transform mass spectrometer

1989 ◽  
Vol 61 (17) ◽  
pp. 1889-1894 ◽  
Author(s):  
Asgeir. Bjarnason ◽  
James W. Taylor ◽  
James A. Kinsinger ◽  
Robert B. Cody ◽  
David A. Weil
Keyword(s):  
Fourier Transform ◽  
Gas Phase ◽  
Mass Spectrometer ◽  
Benzene Derivatives ◽  
Fourier Transform Mass Spectrometer ◽  
Disubstituted Benzene

scholarly journals Excited state dipole moments of anisole in gas phase and solution

2018 ◽  
Vol 365 ◽  
pp. 213-219 ◽  
Author(s):  
Mirko Matthias Lindic ◽  
Matthias Zajonz ◽  
Marie-Luise Hebestreit ◽  
Michael Schneider ◽  
W. Leo Meerts ◽  
...  
Keyword(s):  
Excited State ◽  
Gas Phase ◽  
Dipole Moments ◽  
Excited State Dipole Moments

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.

Thermochromic Shifts of Absorption and Fluorescence Spectra and Excited State Dipole Moment of PRODAN

2000 ◽  
Vol 55 (5) ◽  
pp. 550-554 ◽  
Author(s):  
A. Kawski ◽  
B. Kukliński ◽  
P. Bojarski
Keyword(s):  
Dipole Moment ◽  
Excited State ◽  
Ethyl Acetate ◽  
Satisfactory Agreement ◽  
Fluorescence Spectra ◽  
Dipole Moments ◽  
Absorption And Fluorescence Spectra ◽  
Shift Method ◽  
Solvatochromic Method ◽  
Excited State Dipole Moment

Abstract Using the thermochromic shift method of absorption and fluorescence spectra, the dipole moments in the ground, µg, and excited. µe , state are simultaneously determined for PRODAN in ethyl acetate. The obtained values for µg and µe are compared with those previously determined by the solvatochromic method for two different Onsager radii, and a satisfactory agreement has been obtained

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