Güncel Gönderiler: Fizik Bölümü
Toplam kayıt 230, listelenen: 181-200
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Structural investigation of a self-assembled monolayer material 5-[(3-methylphenyl) (phenyl) amino] isophthalic acid for organic light-emitting devices
(PERGAMON-ELSEVIER SCIENCE LTD, 2014)The molecular structure and vibrations of 5-[(3-methylphenyl) (phenyl) amino] isophthalic acid (MePIFA) were investigated by infrared and Raman spectroscopies, UV-Vis, H-1 and C-13 NMR spectroscopic techniques and NBO ... -
Infrared, Raman and NMR spectra, conformational stability and vibrational assignment of 7,8-Dihydroxy-4-Methylcoumarin
(PERGAMON-ELSEVIER SCIENCE LTD, 2014)We report a combined some (infrared, Raman and NMR) spectroscopic and quantum chemistry study on 7,8-Dihydroxy-4-Methylcoumarin molecule (78D4MC). The Raman and IR spectra of 78D4MC molecule were recorded and analyzed in ... -
FT-IR, FT-Raman, dispersive Raman, NMR spectroscopic studies and NBO analysis of 2-Bromo-1H-Benzimidazol by density functional method
(ELSEVIER, 2015)In this study, geometrical optimization, FT-IR (4000-400 cm(-1)), FT-Raman (4000-40 cm(-1)), dispersive Raman (4000-40 cm-1) spectroscopic analysis, electronic structure and H-1 and C-13 nuclear magnetic resonance (NMR) ... -
DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid
(PERGAMON-ELSEVIER SCIENCE LTD, 2015)The spectroscopic (FT-IR, FT-Raman, H-1 and C-13 NMR, UV-Vis), structural, electronic and thermodynamical properties of 3-fluorophenylboronic acid (C6H4FB(OH)(2)), 3FPBA) were submitted by using both experimental techniques ... -
Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole
(PERGAMON-ELSEVIER SCIENCE LTD, 2015)In this study, 5-(benzylthio)-1-cylopentyl-1H-tetrazole (5B1C1HT) have been synthesized. Boiling points of the obtained compound have been determined and it has been characterized by FT-IR, H-1 NMR, C-13-APT and LC-MS ... -
Effect of Fe doping on the CO gas sensing of functional calixarene molecules measured with quartz crystal microbalance technique
(ELSEVIER SCIENCE SA, 2015)This article presents comprehensive studies of carbon monoxide (CO) responses of bare and iron doped six calix[4]arene derivatives substituted with various functional groups based on quartz crystal microbalance (QCM) ... -
An investigations on the molecular structure, FT-IR, FT-Raman and NMR spectra of 1-(p-tolylsulfonyl) pyrrole by theoretical and experimental approach
(PERGAMON-ELSEVIER SCIENCE LTD, 2015)Fourier-Transform-Infrared, Fourier-Transform-Raman and Nuclear Magnetic Rezonans spectra of 1-(p-tolylsulfonyl) pyrrole molecule have been recorded. In the powder form, vibrational spectra of 1-(p-tolylsulfonyl) pyrrol ... -
FT-IR, FT-Raman, NMR and UV-Vis spectra and DFT calculations of 5-bromo-2-ethoxyphenylboronic acid (monomer and dimer structures)
(PERGAMON-ELSEVIER SCIENCE LTD, 2015)In this study, the Fourier Transform Infrared (FT-IR) and Fourier Transform Raman (FT-Raman) spectra of 5-bromo-2-ethoxyphenylboronic acid (5Br2EPBA) are recorded in the solid phase in the region 4000400 cm(-1) and 3500-10 ... -
Determination of critical linear lattice size for the four dimensional Ising model on the Creutz cellular automaton
(MAIK NAUKA/INTERPERIODICA/SPRINGER, 2015)The four-dimensional Ising model is simulated on the Creutz cellular automaton (CCA) near the infinite-lattice critical temperature for the lattice with the linear dimension 4 a (c) 1/2 L a (c) 1/2 22. The temperature ... -
Theoretical (DFT) and experimental (FT-IR, FT-Raman, FT-NMR) investigations on 7-Acetoxy-4-(bromomethyl)coumarin
(MAIK NAUKA/INTERPERIODICA/SPRINGER, 2015)An analysis of the results of the structural and spectroscopic studies of 7-Acetoxy-4-(bromomethyl) coumarin (7A4BMC) molecule were performed by FT-IR, FT-Raman, FT-NMR and quantum chemical calculations. The FT-IR and ... -
I4/mmm phase of MgF2: An ab initio molecular dynamics study
(MAIK NAUKA/INTERPERIODICA/SPRINGER, 2015)A constant pressure ab initio technique is applied in order to study the structural response of magnesium fluoride (MgF2) under the hydrostatic pressure up to 800 GPa. The orthorhombic-to-tetragonal phase transformation ... -
Synthesis and spectral characterization of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane
(PERGAMON-ELSEVIER SCIENCE LTD, 2016)Bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane (BAMTP) was synthesized and characterized by FT-IR and FT -Raman spectra. Gas phase structure of BAMTP was examined under density functional theory B3LYP/6-311 ++G(d, p) ... -
Synthesis and spectroscopic characterization on 4-(2,5-di-2-thienyl-1H-pyrrol-1-yl) benzoic acid: A DFT approach
(PERGAMON-ELSEVIER SCIENCE LTD, 2016)A complete structural and vibrational analysis of the 4-(2,5-di-2-thienyl-1H-pyrrol-1-yl) benzoic acid (TPBA), was carried out by ab initio calculations, at the density functional theory (DFT) method. Molecular geometry, ... -
The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory
(PERGAMON-ELSEVIER SCIENCE LTD, 2016)In this study, ethyl-6-chloronicotinate (E-6-ClN) molecule is recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1) (FT-IR, FT-Raman and dispersive Raman, respectively) in the solid phase. H-1 and C-13 nuclear magnetic ... -
Charge transfer through amino groups-small molecules interface improving the performance of electroluminescent devices
(ELSEVIER SCIENCE BV, 2016)A carboxylic group functioned charge transporting was synthesized and self-assembled on an indium tin oxide (ITO) anode. A typical electroluminescent device [modified ITO/TPD (50 nm)/Alq(3) (60 nm)/LiF (2 nm)/(120 nm)] was ... -
Spectroscopic studies on 9H-carbazole-9-(4-phenyl) boronic acid pinacol ester by DFT method
(ELSEVIER SCIENCE BV, 2016)9H-Carbazole-9-(4-phenyl) boronic acid pinacol ester (9-CPBAPE) molecule was investigated by FT-IR, Raman, UV vis, H-1 and C-13 NMR spectra. FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. ... -
Pressure-induced phase transitions and structural properties of CoF2: An ab-initio molecular dynamics study
(PERGAMON-ELSEVIER SCIENCE LTD, 2016)The crystal structure of CoF2 was studied theoretically using first-principles density functional theory (DFT) methods within the generalized gradient approximation (GGA) and local density approximation (LDA) under rapid ... -
The Finite-Size Scaling Study of Five-Dimensional Ising Model
(POLISH ACAD SCIENCES INST PHYSICS, 2016)The five-dimensional ferromagnetic Ising model is simulated on the Creutz cellular automaton algorithm using finite-size lattices with linear dimension 4 <= L <= 8. The critical temperature value of infinite lattice is ... -
Experimental and Theoretical Vibrational Spectroscopic Study of Zinc (II) Halide Complexes of 4-Acetylpyridine
(GAZI UNIV, 2017)In the present work, we present a detailed experimental and theoretical study of the zinc (II) halide complexes of 4-acetylpyridine (abbreviated as 4-Ap) (Zn (L)(2) X-2, [where L: C7OH7N; X: Cl, Br and I]). The infrared ... -
Deposition of CZTSe thin films and illumination effects on the device properties of Ag/n-Si/p-CZTSe/In heterostructure
(ELSEVIER SCIENCE SA, 2017)Characterization of Cu2ZnSnSe4 (CZTSe) thin films deposited by thermal evaporation sequentially from the pure elemental sources and in-situ post annealing was carried out at 400 C under Se evaporation atmosphere. Another ...
