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Conformational stability, the spectroscopic (FT-IR and UV), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 6,8-diphenylimidazo[1,2-alpha]pyrazine molecule by ab initio HF and density functional methods
(Pergamon-Elsevıer Scıence Ltd, 2011)
The conformational analysis of 6,8-diphenylimidazo[1,2-alpha]pyrazine molecule (abbreviated as 68DIP) was performed by using B3LYP/6-31G(d) level of theory to find the most stable form. Two staggered stable conformers were ...
Ground state and excited state dipole moments of 6,8-diphenylimidazo[1,2-alpha]pyrazine determined from solvatochromic shifts of absorption and fluorescence spectra
(Pergamon-Elsevıer Scıence Ltd, 2011)
Electronic absorption and dual fluorescence spectra of 6,8-diphenylimidazo[1,2-alpha]pyrazine (68DIP) was recorded in various solvents with different polarity at room temperature. The ground state (mu(g)) and the excited ...
A Theoretical Study on Electronic Structure and Structure-Activity Properties of Novel Drug Precursor 6-Acylbenzothiazolon Derivatives
(Wıley-Blackwell, 2011)
In this work, electronic properties and structure-activity relationship (SAR) parameters of 20 novel drug precursor 6-acylbenzothiazolon derivatives with analgesic activity have been investigated theoretically by performing ...
UV-spectral changes for some azo compounds in the presence of different solvents
(Elsevıer Scıence Bv, 2011)
The electronic absorption spectra of four azo dyes with different substituents (such as Cl, I, OH) are determined at room temperature in twenty-one solvents with different polarities. The electronic transitions of azo dyes ...
Spectroscopic Determination of Acid Dissociation Constants of N-Substituted-6-acylbenzothiazolone Derivatives
(Amer Chemıcal Soc, 2011)
The acid dissociation constants of twelve novel drug precursor N-substituted-6-acylbenzothiazolone derivatives were determined by using the UV-vis spectroscopic technique. The protonation and deprotonation behaviors of the ...
Studies on the electronic absorption spectra of some monoazo derivatives
(Pergamon-Elsevıer Scıence Ltd, 2011)
The electronic absorption spectra of a series of azo dye compounds containing -Cl, -SO(3)H and -OH groups were recorded in twenty one solvents with different polarities. The solvents were selected to cover a wide range of ...
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