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Synthesis of novel 1,10-phenanthroline derivatives and it used as probes for sensitive detection of Zn2+ and Cd2+ metal ions - Spectroscopic and theoretical approach
(PERGAMON-ELSEVIER SCIENCE LTD, 2019)
A novel class of unexpected 1,10-phenanthrolinederivatives were synthesized from 2,3-dihydroacridin-4(111)ones with 3-aminonaphthalen-2-carboxylic acid in presence of phosphorus oxychloride at 130 degrees C and simple ...
New diazo-containing phenolic oximes: structural characterization, computational studies, and solvent extraction of Cu(II), Ni(II), and Zn(II) ions
(SCIENTIFIC TECHNICAL RESEARCH COUNCIL TURKEY-TUBITAK, 2019)
In the current study, four new phenolic oxime ligands (HL1ox-HL4ox) containing diazo groups (-N=N-) were synthesized and used for liquid-liquid extraction of heavy metal ions [Cu(II), Ni(II), and Zn(II)]. The new compounds ...
Investigations of structural, spectral and electronic properties of enrofloxacin and boron complexes via quantumchemical calculation and molecular docking
(PERGAMON-ELSEVIER SCIENCE LTD, 2019)
Quantum chemical analyses were performed over enrofloxacin and boron complexes. The most stable isomer of enrofloxacin was examined at M062X/6-31+ G(d) level in gas phase. Structural and spectral characterizations of ...
A Study of New benzo[d]thiazol Derivatives as Corrosion Inhibitors for Steel AISI 1035 in Acidic
(UNIV MOHAMMED PREMIER OUJDA, 2019)
Benzo[d]thiazol-2-ol (BAT), benzo[d]thiazol-2-amine (4-BAT) and benzo[d]thiazol-2-thiol (2-BAT) were prepared and evaluated as corrosion inhibitors for AISI 1035 steel in 1 M HCl. It is found that 4-BAT functions as more ...
Investigations over optical properties of boron complexes of benzothiazolines
(PERGAMON-ELSEVIER SCIENCE LTD, 2019)
Quantum chemical analyses over benzothiazolines and their boron complexes are performed. In calculations, M06-2X method was selected with 6-31 + G(d,p) level. Structural and spectral (IR and NMR) characterization of studied ...
Research of the substituent effect on non-linear optical properties of bis (difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) derivatives: Molecular simulation analyses
(PERGAMON-ELSEVIER SCIENCE LTD, 2019)
Modelling studies of bis(difluoroboron)-1,2-bis( (1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) derivatives were completed at M06-2X/6-31+G(d) level in vacuo. Structural properties (geometric structure, bond lengths and ...
Investigations of structural, spectral, electronic and biological properties of N-heterocyclic carbene Ag(I) and Pd(II) complexes
(ELSEVIER SCIENCE BV, 2019)
Computational analyses of two Ag(I) and two Pd(II) complexes were done. Benchmark analyses were performed to obtain the most appropriate calculation level for studied complexes. HF, B3LYP and M062 x method were selected ...
