Browsing Kimya Bölümü by Author "e5e0f85b-91b3-4581-9323-2924447a953c"
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Computational design and characterization of platinum-II complexes of some Schiff bases and investigation of their anticancer–antibacterial properties
Erkan Sultan; Kaya, Serpil; Karakaş, Duran (Wiley, June 2022)Pt(L1)2-, Pt(L2)2-, and Pt(L3)2-type four-coordinated hypothetical platinum-II complexes were designed and characterized computationally. Where L1, L2, and L3 are the Schiff base anions as 2-((ethylamino)methyl)-6-meth ... -
Computational investigation of molecular structures, spectroscopic properties and antitumor-antibacterial activities of some Schiff bases
Kaya, Serpil; Erkan Sultan; Karakaş, Duran (Elsevier, Ocak 2021)Molecular structures, spectroscopic properties (IR, 1H NMR and 13C NMR, UV-VIS), molecular electrostatic potential maps and some molecular properties (ionization energy, electron affinity, energy gap, hardness, electronegativity, ... -
Computational structure characterization, nonlinear optical properties and antitumor activities of Nickel(II) complexes containing alkoxy-derived dicyandiamide ligands
Alagöz Sayın, Tuba; Karakaş, Duran (NISCAIR, 2021)[Ni(dcda-O-Me)2] 2+ (1), [Ni(dcda-O-Et)2] 2+ (2), [Ni(dcda-O-nPr)2] 2+ (3), and [Ni(dcda-O-nBu)2] 2+ (4) complexes (dcda-O-R is dicyandiamide ligands with alkoxy-derived) have been optimized in the gas phase at ... -
Investigations substituent effect on structural, spectral and optical properties of phenylboronic acids
Çöpçü, Burcu; Sayın, Koray; Karakaş, Duran (2021)Ortho- and para-substituent arylboronic acid are investigated. Geometric structure and structural proper- ties of these compounds are done. IR and NMR spectrum are calculated for the spectral characterizations. Contour ... -
Modeling, spectroscopic structural properties of platinum-II complexes of 2-((phenylimino)methyl)phenolate-based ligands and research of nonlinear optical, organic light emitting diode and solar cell performances
Erkan Sultan; Karakaş, Duran (Elsevier, 2023)The hypothetical Pt(B1)2, Pt(B2)2 and Pt(B3)2 complexes were modeled. B1, B2 and B3 are Schiff bases, 2-((phenylimino)methyl)phenolate, 4-methyl-2-((phenylimino)methyl)phenolate and 4-nitro-2-((phenylimino)methyl)phenolate, ...