Yazar "Güven, Alaattin" için Fizik Bölümü listeleme
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The acidities of some indoles
Hür, Deniz; Güven, Alaattin (Elsevier Science BV, 2002)We wish to present an experimental and theoretical study for the estimation of pK(a) values of some 1-, 2- and 1,2-substituted indoles in aqueous solution by spectroscopic and semiempirical methods. The all possible ... -
Complete analysis of the H-1 and C-13 NMR spectra of diastereomeric mixtures of (R,S- and S,S-)-3,6-dimethoxy-2,5-dihydropyrazine-substituted indoles and their conformational preference in solution
Akhmedov, Novruz G.; Dacko, Christopher A.; Güven, Alaattin; Soderberg, Bjorn C. G. (Wiley-Blackwell, 2010)Complete analysis of the H-1 and C-13 NMR spectra obtained with and without a chemical shift reagent (Eu(fod)(3)), of bis-lactim ether 1 (Schollkopf auxiliary) and monosubstituted 3- or 2-{(2R,5S or 2S,5S)-5-isopropyl-3, ... -
gNMR simulated H-1 and proton-coupled C-13 NMR spectra of substituted 3-nitropyridines. GIAO/DFT calculated values of proton and carbon chemical shifts and coupling constants
Katritzky, Alan R.; Akhmedov, Novruz G.; Güven, Alaattin; Doskocz, J; Akhmedova, RG; Majumder, S; Hall, CD (Elsevier Science BV, 2006)The magnitude of one bond and long-range coupling constants in 3-nitropyridine 1 and its derivatives 2-16 were determined from the proton-coupled C-13 NMR spectra in CDCl3. The GIAO/DFT (Density Functional Theory/Gauge ... -
Hydrogen bonding and dimeric self-association of 2-pyrrolidinone: An ab initio study
Yekeler, H; Güven, Alaattin; Özkan, R (Kluwer Academic Publ, 1999)Ab initio calculations on the different associated structures of 2-pyrrolidinone with water and with itself were carried out using 3-21G and 6-31G(*) basis sets at the Hartree-Fock level, including electron correlation ... -
NMR spectra, GIA and charge density calculations of five-membered aromatic heterocycles
Katritzky, Alan R.; Akhmedov, Novruz G.; Doskocz, Jacek; Mohapatra, Prabhu P.; Hall, C. Dennis; Güven, Alaattin (Wiley-Blackwell, 2007)The B3LYP/6-31+G(d) molecular geometry optimized structures of 17 five-membered heterocycles were employed together with the gauge including atomic orbitals (GIAO) density functional theory (DFT) method at the B3LYP/6-31+G(d,p), ... -
One-bond and long-range coupling constants of substituted 2-cyanopyridines. GIAO/DFT calculations of proton and carbon chemical shifts and coupling constants
Katritzky, Alan R.; Akhmedov, Novruz G.; Güven, Alaattin; Scriven, EFV; Majumder, S; Akhmedova, RG; Hall, CD (Elsevier Science BV, 2006)The magnitude of one bond and long-range coupling constants ((n)J(HH) and (n)J(CH)) in isomeric cyanopyridines-(1, 2, 3), methyl-(4, 5, 6, 7), 3-ethyl-(8), chloro-(9), 3-bromo-(10), acetyl-(11, 12), 5-ethoxycarbonyl-(13) ... -
Oxygen bridged Homobinuclear Mn(II) compounds with Anthranilic acid: Theoretical calculations, oxidation and catalase activity
Su, Esra; Güven, Alaattin; Kani, İbrahim (Wiley, 2018)Two new homobinuclear manganese compounds with mixed ligands, [Mn-2((1,1)-2-NH2C6H4COO)(2)(phen)(4)](ClO4)2(CH3OH) (1), and [Mn-2((1,3)-2-NH2C6H4COO)(2)(bipy)(4)](ClO4)2 (2) (NH2C6H4COOH=anthranilic acid, bipy=2,2-bipyridine, ... -
Synthesis and antimicrobial investigation of some 5H-pyridazino[4,5-b]indoles
Avan, İlker; Güven, Alaattin; Güven, Kıymet (Scientific Technical Research Council Turkey-Tubitak, 2013)Synthesis and in vitro antimicrobial activities are reported for a series of 1,3,5-substituted 4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indole derivatives. Corresponding pyridazino[4,5-b]indoles were prepared from ethyl ...