Güncel Gönderiler: Fen Fakültesi
Toplam kayıt 2379, listelenen: 1781-1800
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Near-infrared and ultraviolet induced isomerization of crotonic acid in N-2 and Xe cryomatrices: First observation of two high-energy trans C-O conformers and mechanistic insights
(Amer Inst Physics, 2014)E-crotonic acid was isolated in cryogenic solid N-2 and xenon matrices, and subjected to Laser ultraviolet (UV) and near-infrared (NIR) irradiations. In the deposited matrices, the two low-energy cis C-O E-cc and E-ct ... -
Infrared Spectrum and UV-Induced Photochemistry of Matrix-Isolated 5-Hydroxyquinoline
(American Chemical Society, 2015)The Mixture, infrared spectrum, arid.photo-chemistry of 5-hydroxyquitoline (5HQ) were studied by matrix isolation infrared spectroscopy, complemented by theoretical calculations performed, at the DFT(B3LYP)/6-311++G(d,p) ... -
First observation of methane photochemical generation from an N,N-dimethylamino-substituted arene: the case of 4-(N,N-dimethylamino)benzaldehyde (DMABA)
(Pergamon-Elsevier Science LTD, 2016)The first observation of methane photochemical production from an N,N-dimethylamino-substituted arene (DMABA: 4-(N,N-dimethylamino)benzaldehyde) is described. UV irradiation (lambda>298 nm) of DMABA isolated in a solid low ... -
Photorotamerization of matrix-isolated acrylic acid revisited
(Amer Inst Physics, 2011)In this study, the conformational preferences and photochemistry of acrylic acid (AA, CH(2)=CHCOOH) monomer isolated in cryogenic argon and krypton matrices were interpreted, based on results of quantum chemical calculations. ... -
Crystal Structure, Matrix-Isolation FTIR, and UV-Induced Conformational Isomerization of 3-Quinolinecarboxaldehyde
(American Chemical Society, 2014)The crystal structure of 3-quinolinecarboxaldehyde (3QC) has been solved, and the compound has been shown to crystallize in the space group P2(1)/c (monoclinic) with a = 6.306(4), b = 18.551(11), c = 6.999(4) angstrom, ... -
Structure and Photochemistry of N-Salicylidene-p-carboxyaniline Isolated in Solid Argon
(American Chemical Society, 2015)Infrared matrix isolation spectroscopy and DFT/B3LYP/6-311++G(d,p) calculations have been used to characterize the conformational space of the enol-imine and keto-amine tautomers of N-salicylidene-p-carboxyaniline (SCA) ... -
In situ photoproduction of dichlorodibenzo-p-dioxin from non-ionic triclosan isolated in solid argon
(Elsevier Science BV, 2012)The infrared spectrum of triclosan [or 5-chloro-2-(2,4-dichlorophenoxy)phenol] isolated in a low temperature (similar to 15 K) argon matrix has been recorded and assigned with help of DFT claculations undertaken with the ... -
Experimental Evidence of Long-Range Intramolecular Vibrational Energy Redistribution through Eight Covalent Bonds: NIR Irradiation Induced Conformational Transformation of E-Glutaconic Acid
(American Chemical Society, 2017)Long-range intramolecular-vibrational energy redistribution (IVR) driven conformational changes were investigated in a matrix-isolated open-chain, asymmetrical dicarboxylic acid, E-glutaconic acid. Although the analysis ... -
Conformers of beta-aminoisobutyric acid probed by jet-cooled microwave and matrix isolation infrared spectroscopic techniques
(Amer Inst Physics, 2013)beta-aminoisobutyric acid (BAIBA) has been studied in isolation conditions: in the gas phase and trapped into a cryogenic N-2 matrix. A solid sample of the compound was vaporized by laser ablation and investigated through ... -
Thermal decomposition of allantoin as probed by matrix isolation FTIR spectroscopy
(Pergamon-Elsevier Science LTD, 2009)The optimized geometries, energies of the possible conformers of allantoin (2,5-dioxo-4-imidazolidinyl urea, the diureide of glyoxylic acid) as well as the barriers for conformational interconversion have been calculated ... -
Low temperature FTIR, Raman, NMR spectroscopic and theoretical study of hydroxyethylammonium picrate
(Elsevier Science BV, 2016)A combined experimental (infrared, Raman and NMR) and theoretical quantum chemical study is performed on the charge-transfer complex hydroxyethylammonium picrate (HEAP). The infrared (IR) spectra for HEAP were recorded at ... -
Methylparaben Isolated in Solid Argon: Structural Characterization and UV-Induced Conversion into Methylparaben Radical and Isomeric Ketenes
(American Chemical Society, 2013)Methylparaben (methyl p-hydroxybenzoic acid; MP) is a widely used antimicrobial preservative, being the most frequently used antimicrobial preservative in cosmetics. The generalized use of MP has become controversial, with ... -
Effects of the matrix and intramolecular interactions on the stability of the higher-energy conformers of 2-fluorobenzoic acid
(Amer Inst Physics, 2017)DFT(B3LYP)/6-311++ G(d, p) calculations on 2-fluorobenzoic acid (2FBA) showthat the molecule has four conformers: two lowenergy conformers (forms I and II) with the carboxylic acid group assuming the cis configuration (O ... -
Photoisomerization and Photochemistry of Matrix-Isolated 3-Furaldehyde
(American Chemical Society, 2010)3-Furaldehyde (3FA) was isolated in an argon matrix at 12 K and studied using FTIR spectroscopy and quantum chemistry The molecule has two conformers with trans and cis orientation of the O=C-C=C dihedral angle At the ... -
Theoretical and infrared investigation of 2-acetylpyridine isolated in solid nitrogen and in neat condensed phases
(Elsevier Science BV, 2016)The geometries of the two conformers of 2-acetylpyridine (2AP) were optimized at the DFT/B3LYP/6-311++G(d,p) level of approximation, and their relative energy and interconversion barrier evaluated. Both conformers were ... -
Trans- and cis-stilbene isolated in cryogenic argon and xenon matrices
(Pergamon-Elsevier Science LTD, 2015)Monomers of trans- (TS) and cis-stilbene (CS) were isolated in cryogenic argon and xenon matrices, and their infrared (IR) spectra were fully assigned and interpreted. The interpretation of the vibrational spectra received ... -
In situ direct photoproduction of ketenes from substituted coumarins isolated in solid argon: The case of N-(2-oxo-2H-chromen-3-yl)acetamide
(Elsevier Science BV, 2009)In this study, the infrared spectrum of N-(2-oxo-2H-chromen-3-yl)acetamide (3-acetamidocoumarin; 3AC) isolated in solid argon, at 10 K, was obtained and assigned. In consonance with the relative energies of the three ... -
Metal-assisted nano-textured solar cells with SiO2/Si3N4 passivation
(Elsevier Science BV, 2017)We demonstrate the fabrication of nano-sized surface textured crystalline silicon by a metal-assisted electroless etching method with nitric acid added as the hole injection agent. This method generates randomly shaped ... -
An Alternative Metal-Assisted Etching Route for Texturing Silicon Wafers for Solar Cell Applications
(IEEE-Inst Electrical Electronics Engineers Inc, 2016)Metal-assisted etching (MAE) can be used to form antireflective and light-trapping structures on crystalline silicon solar cells. This method has been widely used to form nanowires and nanoholes on their surfaces. In this ... -
Comparative evaluation of InAs/GaSb superlattices for mid infrared detection: p-i-n versus residual doping
(IOP Publishing LTD, 2015)We report on the opto-electronic characterization of an InAs/GaSb superlattice (SL) midwave infrared p-i-n photodetector structure (pin-SL) in comparison with the same structure with no intentional doping (i-SL). Both ...