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Optoelectronic and photonic properties of pi-conjugated benzonitrile derivative bis-Schiff base by solution technique
(Elsevıer Gmbh, 2021)
In the present study, FT-IR and UV spectra of the 4,4 '-((1,4 phenylenebis(methaneylylidene))bis (azaneylylidene))dibenzonitrile denoted as, PMAD were investigated in solution phase. PMAD exhibits two absorption bands near ...
The Solvatochromism And Electronic Structure Of (E)-2-(2-Hydroxystyryl)Quinolin-8-Ol
(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 ...
Structural Relevance of Intramolecular H-Bonding in Ortho-Hydroxyaryl Schiff Bases: The Case of 3-(5-bromo-2-hydroxybenzylideneamino) Phenol
(Mdpı, 2021)
A new Schiff base compound, 3-(5-bromo-2-hydroxybenzylideneamino)phenol (abbreviated as BHAP) was synthesized and characterized by H-1- and C-13- nuclear magnetic resonance and infrared spectroscopies. DFT/B3LYP/6-311++G(d,p) ...
Multivariate Sar Studies On Some Novel Drug Precursor Benzothiazolinone Derivatives
(2015)
Yeni modellenen analjezik aktif otuziki benzotiyazolinon türevinin çok değişkenli yapı-aktivite ilişkileri iki farklı kemometric metot olan temel bileşen analizi (PCA) ve hiyerarşik kümeleme analizi (HCA) kullanılarak ...
Theoretical investigation on -spacer effect of the D--A organic dyes for dye-sensitized solar cell applications: a DFT and TD-BHandH study
(Sprınger, 2019)
In this paper, we present a series of sensitizers to shed light on the influence of -spacers on the performance of dye-sensitized solar cells. We have accurately calculated key properties in energy conversion, including ...
The analysis of HF molecule by means of infrared transitions in H+ F-2 collinear scattering on two different potential energy surfaces
(Elsevıer Scıence Bv, 2018)
In this study, infrared vibrational modes and intensities are calculated for F-2+ H -> HF+ F reaction according to distance between F and H atoms by using DFT-B3LYP/6-311++ G (d, p) level of theory. Also for the relevant ...
The Dipole Moments and Solvatochromism of ((4-(Benzyloxy)benzylidene)amino)phenol Compounds as Solvatochromic Materials
(Sprınger/Plenum Publıshers, 2019)
Three novel ((4-(benzyloxy)benzylidene)amino)phenol compounds are synthesized and characterized. The electronic structures of the molecules have been investigated by using both experimental and theoretical methods. Kamlet-Taft ...
The electronic structure, solvatochromism, and electric dipole moments of new Schiff base derivatives using absorbance and fluorescence spectra
(Sprınger/Plenum Publıshers, 2019)
The electronic structure and electronic transitions of four new mono Schiff base derivatives are interpreted by using absorption and fluorescence spectra including 28 different solution medium. Electrical dipole moments ...
Designing Donor-Acceptor thienopyrazine derivatives for more efficient organic photovoltaic solar cell: A DFT study
(Elsevıer Scıence Bv, 2019)
The present work focuses on the design and development of new thienopyrazine-derivatives in alternate Donor-Acceptor (D-A) structure for solar cells applications. Eight molecules based on thienopyrazine combined with the ...
SYNTHESIS, SOLVATOCHROMISM, ELECTRONIC STRUCTURE AND NONLINEAR OPTIC PROPERTIES OF QUINOLIN-8-YL 2-HYDROXYBENZOATE
(Soc Chemısts Technologısts Madeconıa, 2018)
Quinolin-8-yl 2-hydroxybenzoate (QHB) was synthesized and its physical and electronic properties were investigated both experimentally and theoretically. The electronic structure and spectral behavior were determined by ...
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