Comparison of Stability Cu(C7H3NO4)2 and Valance / Charge Ratio of Oxygen and Carbon atoms in the Complex by Changing the Vinyl, Acetylene, isopropil
Journal Title: International Journal of new Chemistry - Year 2017, Vol 4, Issue 2
Abstract
In the complex (bispyridine -2 and 6-dicarboxylate copper II)) at position H number 26 with modifications of ligands such as vinyl, acetylene and isopropyl, changes in the valance / charge ratio for oxygen and carbon atoms in these complexes have been investigated by methods Initial calculations (ab initio) have been performed at two levels of HF, DFT. Finally, their stability is compared with the tables and charts resulting from the calculations performed.
Authors and Affiliations
David Collins
NaHSO4–SiO2 Promoted Solvent-Free Synthesis of Triazolo [1,2-a]indazole-triones
A new one-pot, efficient three-component condensation of dimedone, urazole and aromatic aldehydes in the presence of silica supported sodium hydrogen sulfate as an effective heterogeneous catalyst for the synthesis of no...
Evaluating the Thermodynamic Parameters the Derivative [b-5,1] tetrazolo [4,2,1] teriazine (TTA) with Boron nitride nano-cage in Different Temperature Conditions by DFT Method
In thisresearch, the formed reaction derivative of matter [b-5,1] Tetrazolo [4,2,1] Teriazine (TTA) with boron nitride cage Nano-structure was studied in different temperature conditions by DFT method. For this purpose,...
Characterization and DFT studies of cis, trans and vinyl derivatives of 1,4-butadiene using C20 in different temperatures
In this research of cis, trans and vinyl monomeric derivatives of 1,4-butadiene were studied using C20 in different temperatures by Functional density theory (DFT). To this purpose, the materials were firstly optimized g...
Hydrothermal synthesis of monoclinic - cubic Li2TiO3 hybrid nanocomposite microspheres
Li2TiO3 compound is one of the most important tritium breeding ceramics for industrial application in the nuclear fusion reactor. The use of the hydrothermal method for preparing ceramic composite materials is new trend....
Quantum chemical study of Interaction of PLGA polymeric nanoparticles as drug delivery with anti-cancer agents of thiazoline
Thiazoles derivatives are consisted in chemical compounds such as antimicrobial and anticancer medicine. Since polylactic-co-glycolic acid (PLGA) polymeric nanoparticles has been conversed about nanomedicine applications...