Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations

Journal Title: International Journal of new Chemistry - Year 2016, Vol 3, Issue 4

Abstract

In this study, the combination of Phenergan C17H2ON2S, in which two aromatic rings are present, are attached to the rings at carbon position 5 and 13 halogens, and the changes in the asymmetric parameter, the convex constants, and the chemical displacement of the lateral carbon atoms are calculated. It shows that with the change of halogen based on the electronegativity of the fluorine atom, the contiguous constants always have the lowest values and chemical displacement in most of the carbon atoms studied.

Authors and Affiliations

Mehmet Larit

Keywords

Related Articles

Separation, Preconcentration and determination of Hg (II) Ion in Water Samples by Cloud Point Extraction Technique Coupled with UV-VIS Spectrophotometry using a New Complexing Agent

In this study a cloud-point extraction process using non-ionic surfactant Triton X-114 for extraction of mercury (II) from aqueous solutions was developed. The method is based on the complex formation of Hg (II) with ben...

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...

The Study of Substituent effect on Osmabenzene complexes

The electronic structure and properties of the osmaabenzenes and para substituted osmabenzenes have been explored using the hybrid density functional mpw1pw91 theory. Systematic studies on the substituent effect in para...

Computational Investigation of the Effect of Changes in Halogenated on Factors in Nano-Carriers of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride and C60

In this study, the drug combination of 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-yl-propan-1-ol hydrochloride or Procychelidine was applied on fullerene and its dual halogen derivatives were optimized in the position of carbo...

Investigation of Chemical Properties in Fullerene Derivatives of Fluoxetine Drug : A DFT Study

In this research at the first fluoxetine drug and its fullerene derivative were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such...

Download PDF file
  • EP ID EP46171
  • DOI -
  • Views 238
  • Downloads 0

How To Cite

Mehmet Larit (2016). Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations. International Journal of new Chemistry, 3(4), -. https://europub.co.uk/articles/-A-46171