Quantum Mechanic Studies of Natural Bond Orbital & Stabilities of [CuCH2SiMe3]4Complexes With Different Halogens
Journal Title: International Journal of new Chemistry - Year 2016, Vol 3, Issue 1
Abstract
The asymmetric unit of the title compound, Contains two independent molecules. The Cu atoms are four coordinated in distorted tetrahedral configuration by two atoms from 5,5`-dimethyl-2,2`- bipyridine and two terminal atoms. In the Cuystal structure, inter molecular hydrogen bonds link the molecules. The are contacts between the methyl groups and the pyridine and five member rings containing Cu atoms. Contacts also exist between the pyridine rings.
Authors and Affiliations
Arezo Batebi; Somaieh Kopaiee Malek
Chemical investigation of drilling flowers, types of contaminations and ways to treat them
Generally, the drilling mud is divided into three groups of oil (gas oil) and gas based on its base (the main phase), which is often mixed drilling mud from two or more times a mixture of all three fluids that are pres...
Synthesis and Characterization of the Ti-Doped Vanadium Oxide Nanotubes
Synthesis of different kinds of nanotubes were considering after the discovery of carbon nanotubes . Lately has been noticed synthesis of vanadium oxide nanotubes. Vanadium oxide nanotubes are made of multilayer scrolls...
Comparison of doped combination zirconium-tungsten, zirconium- molybdenum and molybdenum-tungsten on single-wall vanadium oxide nanotube in hydrogen gas adsorption
In this study, doped vanadium oxide nanotubes were evaluated using different software to study the absorption of hydrogen gas. Vanadium oxide nanotubes are one of the options for absorption and storage hydrogen gas. In t...
Effects of Calcination Temperature on the Synthesis, Chemical Structure, and Magnetic Properties of Nano Crystallites Zinc Ferrite Prepared by Combination of Sol-Gel Auto-Combustion and Ultrasonic Irradiation Techniques
Nanocomposite zinc ferrites were synthesized using glycine-nitrates by sol–gel auto-combustion technique. The influence of calcination temperatures varying from 400 to 900°C on structural and magnetic properties of spine...
Computational study of Chemical properties in fullerene Derivatives of (RS)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol or Lopressor
In this research at the first (RS)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-oland its fullerene derivative were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31...