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The solvatochromism and electronic structure of (E)-2-(2-hydroxystyryl)quinolin-8-ol
(Scıentıfıc Technıcal Research Councıl Turkey-Tubıtak, 2019)
The (E)-2-(2-hydroxystyryl)quinolin-8-ol (abbreviated as HSQ) molecule was synthesized and characterized. The ESIPT, solvatochromism properties, electronic structure, and ground and excited electric dipole moments of this ...
Electronic structure and optical properties of Schiff base hydrazone derivatives by solution technique for optoelectronic devices: Synthesis, experiment and quantum chemical investigation
(Elsevıer Scıence Bv, 2019)
In this study, electronic, optical and spectroscopic FT-IR, UV properties of new synthesized Schiff base hydrazone derivatives, 1-(4-nitrophenyl)-2-(4-phenoxybenzylidene)hydrazone and 1-(2,4-dinitropheny1)-2-(4-phenoxybe ...
Density functional theory design D-D-A type small molecule with 1.03 eV narrow band gap: effect of electron donor unit for organic photovoltaic solar cell
(Taylor & Francıs Ltd, 2017)
Six new low-band-gap copolymers of donor-donor-acceptor (D-D-A) architecture have been designed using density functional theory and time-dependent density functional theory methods in order to use them in organic photovoltaic ...
Structural and electronic properties of cyanide-coated fullerene C-20@(CN)(n) (n=0-20): An ab initio approach
(Sprınger Heıdelberg, 2016)
Density functional theory calculations at the LDA level have been performed to investigate the geometrical structure, stabilities and electronic properties of cyanide-coated fullerene C-20@(CN)(n), with n = 0-20 in the ...
Quantum Chemical Studies On Tautomerism And Basicity Behavior Of Some 1,2,4-Triazole Derivatives
(2010)
The acidity constants, relative stabilities, and tautomeric equilibrium constants of some 1,2,4-triazole derivatives were determined using the density functional theory (DFT) with the B3LYP method and 6- 311G(d,p) basis ...
Investigation on the interactions of E-4-methoxycinnamic acid with solvent: Solvatochromism, electric dipole moment and pH effect
(Elsevıer Scıence Bv, 2018)
The UV-vis absorption and steady state fluorescence spectra of E-4-methoxycinnamic acid (abbreviated as E4mCinA) have been recorded in serial solvents with different properties. Specific and non-specific solute solvent ...
Experimental and theoretical investigation of the molecular, electronic structure and solvatochromism of phenyl salicylate: External electric field effect on the electronic structure
(Elsevıer, 2017)
The UV-vis absorption and steady state fluorescence spectra of phenyl salicylate (abbreviated as PS) have been recorded in a series of non-polar, polar protic and polar aprotic solvents at room temperature and the obtained ...
Study on the electronic and photophysical properties of the substitute-((2-phenoxybenzylidene)amino)phenol derivatives: Synthesis, solvatochromism, electric dipole moments and DFT calculations
(Elsevıer Scıence Bv, 2017)
In this study, new substitute-((2-phenoxybenzylidene)amino)phenol derivatives were synthesized and characterized by elemental analysis, H-1 NMR,C-13 NMR and FT-IR spectra. The absorption and fluorescence spectra of the ...
Dipole moment and solvatochromism of benzoic acid liquid crystals: Tuning the dipole moment and molecular orbital energies by substituted Au under external electric field
(Elsevıer, 2017)
The optical absorption and steady-state fluorescence spectra of 4-heptyloxybenzoic acid (4hoba), 4-octyloxybenzoic acid (400ba) and 4-nonyloxybenzoic acid (4noba) liquid crystals have been measured in a series of different ...
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