Претраживање
Приказ резултата 11-20 од 35
What is the nature of bonding in [Fe(CO)3(NO)]− and [Fe(CO)4]2−?
(Springer Nature, 2020)
To shed new light on the electronic structure of [Fe(CO)3(NO)]¯ complex ion, DFT-based analysis of the nature of chemical bonding has been performed. For this purpose, the extended transition state energy decomposition ...
Gold(III) complexes with esters of cyclohexyl-functionalized ethylenediamine-N,N '-diacetate
(Elsevier Science Inc, New York, 2013)
Six novel gold(III) complexes containing O,O'-dialkyl-(S,S)-ethylenediamine-N,N'-di-2-(3-cyclohexyl)propanoate ([AuCl2{(S,S)-R(2)eddch}]PF6, R = Me, Et, n-Pr, n-Bu, i-Bu, i-Am; 1-6, respectively) were synthesized and ...
Spectroscopic and quantum chemical investigations of substituent effects on the azo-hydrazone tautomerism and acid-base properties of arylazo pyridone dyes
(Oxford : Pergamon-Elsevier Science Ltd, 2014)
A series of 5-(4-substituted arylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridone dyes was synthesized and the structure of the dyes was confirmed by UV-Vis, FT-IR, H-1 NMR and C-13 NMR spectroscopic techniques. The azo-hydrazone ...
A simulation of free radicals induced oxidation of dopamine in aqueous solution
(Elsevier, 2019)
Understanding the basic chemistry between highly reactive free radicals and dopamine is an important step in characterizing the antioxidative activity of catecholamine neurotransmitters. In this work, we simulated the ...
Palladium(II) complexes with R-2 edda-derived ligands
(Taylor & Francis Ltd, Abingdon, 2016)
Four palladium(II) complexes with R-2 edda ligands, dichlorido(O,O-dialkylethylenediamine-N,N'-diacetate)palladium(II) monohydrates, [PdCl2(R(2)edda)].H2O, R=Me, Et, n-Pr, i-Bu, and the new ligand precursor i-Bu(2)edda.2HCl.H2O, ...
Structural aspects of 4-aminoquinolines as reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase
(Elsevier Ireland Ltd, 2019)
Eight derivatives of 4-aminoquinolines differing in the substituents attached to the C(4)-amino group and C(7)were synthesised and tested as inhibitors of human acetylcholinesterase (AChE)and butyrylcholinesterase (BChE). ...
Synthesis, characterization, antimicrobial activity and DFT study of some novel Schiff bases
(Elsevier, 2021)
Two new Schiff bases derived from L-cysteine and substituted benzaldehyde were synthesized: the compound 1 [2-((2-chlorobenzylidene) amino)-3-mercaptopropanoic acid] and the compound 2 [3-mercapto-2-((2-methoxybenzylidene) ...
Absorption and fluorescence spectral properties of azo dyes based on 3-amido-6-hydroxy-4-methyl-2-pyridone: Solvent and substituent effects
(Elsevier, 2020)
A series of nine 5-(4-substituted phenylazo)-3-amido-6-hydroxy-4-methyl-2-pyridones were synthesized and characterized by FT–IR, 1H and 13C NMR, UV–Vis, and PL spectroscopy. Photophysical properties of the dyes were examined ...
Magnetic criteria of aromaticity in a benzene cation and anion: how does the Jahn-Teller effect influence the aromaticity?
(Oxford : Pergamon-Elsevier Science Ltd, 2012)
The aromatic/antiaromatic behavior of the Jahn-Teller UT) active benzene cation and anion has been investigated using Density Functional Theory (DFT) calculations of Nuclear Independent Chemical Shifts (NICS) and magnetic ...
Synthesis of novel pyridinium based compounds and their possible application in dye-sensitized solar cells
(Elsevier, 2023)
Five novel D-π-A structured pyridinium based compounds, bearing different electron-donating units were synthesized, minutely characterized, and their solvatochromic and electronic properties were investigated. Subsequently, ...