Showing posts with label structural chemistry impact factor. Show all posts
Showing posts with label structural chemistry impact factor. Show all posts

Monday, 19 September 2016

Crystal Structure Analysis of Epoxy Derivatives



The halogen atoms (F, Br and Cl) substituted in epoxy compounds which were crystallized in slow evaporation method. Crystallographic data were collected by using BRUKER SMART APEX II CCD detector diffractometer. All the three compounds were solved by direct methods and refined by F2 full matrix least squares method. CompoundsI and III crystallizes in monoclinic crystal system P21/c space group, but compound II crystallize in Triclinic P? space group, respectively. The final R-factor of the three compounds 0.0479, 0.0500 and 0.0787 respectively.

Epoxy Derivatives
Compounds with epoxy group are found to be useful in paints, composite formations, and development of adhesins as well as in many microelectronic applications with biphenyl-type epoxy compounds. Epoxides are three-membered oxygen compounds, generated when endogenous as well as xenobiotic compounds undergo oxidative metabolism via chemical and enzymatic oxidation processes. The epoxides aregenerally unstable in aqueous environments and highly reactive. These epoxide intermediates have been implicated as potential mutagenic and carcinogenic agents. In view of the above said properties, structural analyses of such epoxy containing compounds are carried out by many investigators. The present study explains the structural details of three epoxy derivatives.

Tuesday, 23 August 2016

The Structure of Metals and its Influence on Metallic Properties

This article briefly reviews the current model of metallic structure. An alternative model of metallic structure is described. Limitations of the “ions in a sea of electrons/delocalized electrons” model are provided and properties of metals which can be accounted for by the alternative soft-sphere model are discussed. Data from this alternative proposed model that are used to calculate densities, lattice energies, work functions, and internuclear distances are shown to give good agreement with observed values.

The Structure of Metals

The majority of elements that naturally occur on earth are metals. With the exception of mercury, all metals are solids at room temperature and atmospheric pressure. Metals are good conductors of heat and electricity and most metals have high densities and are malleable and ductile. Some transition metals are also known to be good heterogenous catalysts. Although it is known that most metals have hexagonal, cubic close packed or body centered cubic structures, metallic structure and properties are not fully understood.