• Register
  • Login

European Journal of Molecular & Clinical Medicine

  1. Home
  2. Computational investigation and assessment on photo-electron diffraction and Production of inter-molecular charge transfer complex (ICT complex) in organic heterocyclic system by the influence of electronegative species substitution

Current Issue

By Issue

By Author

By Subject

Author Index

Keyword Index

About Journal

Aims and Scope

Editorial Board

Publication Ethics

Indexing and Abstracting

Related Links

FAQ

Peer Review Process

Journal Metrics

News

Computational investigation and assessment on photo-electron diffraction and Production of inter-molecular charge transfer complex (ICT complex) in organic heterocyclic system by the influence of electronegative species substitution

    Author

    • A. Abbas Manthiri, S. Ramalingam, R. Aarthi, G. Susithra .

    .

,

Document Type : Research Article

  • Article Information
  • Download
  • Export Citation
  • Statistics
  • Share

Abstract

              The production of intermolecular charge transfer complex (ICT) in the molecular composite is very significant process for preparing functional materials for many applications. The spontaneous construction and manipulation of CT complex by injection of halogen atoms and electronegative groups were described in detail using computational tool. The respective physical and chemical properties modification of chemical compound (pyridine) were studied by monitoring HOMO-LUMO interactive lobe formation and band gap adaptation. The internal energy band gap variation is addressed by adding of halogens, amino, nitro, COOH and CONH groups. By screening the parametric values, influence of substitutions on the change of base compound property was determined. In the calculation, 3-excited electronic energy levels are assigned in order to find the CT complex absorption peaks and the respective electronic signals were determined. Irrespective of all compounds, UV-Visible spectrum showed the similar active region; Quartz UV and the identified UV band is K-Band. Among all compounds, the highest peak shift of 85.3 nm and highest energy band gap shift of 1.64 eV was found for nitro pyridine. The ECT transfer of all compounds is determined as almost same and finely showed the energy transfer from ligand to base compound. The MEP for all compounds showed the arrangement of static electric multipole moment and it ensures the enabling of photo-electron scattering and photo-electron diffraction.

Keywords

  • charge transfer complex
  • pyridine
  • Quartz UV
  • photo-electron scattering
  • photo-electron diffraction
  • XML
  • PDF 936.7 K
  • RIS
  • EndNote
  • Mendeley
  • BibTeX
  • APA
  • MLA
  • HARVARD
  • VANCOUVER
    • Article View: 22
    • PDF Download: 86
European Journal of Molecular & Clinical Medicine
Volume 10, Issue 1 - Issue Serial Number 1
January 2023
Page 2690-2704
Files
  • XML
  • PDF 936.7 K
Share
Export Citation
  • RIS
  • EndNote
  • Mendeley
  • BibTeX
  • APA
  • MLA
  • HARVARD
  • VANCOUVER
Statistics
  • Article View: 22
  • PDF Download: 86

APA

., A. A. M. S. R. R. A. G. S. (2023). Computational investigation and assessment on photo-electron diffraction and Production of inter-molecular charge transfer complex (ICT complex) in organic heterocyclic system by the influence of electronegative species substitution. European Journal of Molecular & Clinical Medicine, 10(1), 2690-2704.

MLA

A. Abbas Manthiri, S. Ramalingam, R. Aarthi, G. Susithra .. "Computational investigation and assessment on photo-electron diffraction and Production of inter-molecular charge transfer complex (ICT complex) in organic heterocyclic system by the influence of electronegative species substitution". European Journal of Molecular & Clinical Medicine, 10, 1, 2023, 2690-2704.

HARVARD

., A. A. M. S. R. R. A. G. S. (2023). 'Computational investigation and assessment on photo-electron diffraction and Production of inter-molecular charge transfer complex (ICT complex) in organic heterocyclic system by the influence of electronegative species substitution', European Journal of Molecular & Clinical Medicine, 10(1), pp. 2690-2704.

VANCOUVER

., A. A. M. S. R. R. A. G. S. Computational investigation and assessment on photo-electron diffraction and Production of inter-molecular charge transfer complex (ICT complex) in organic heterocyclic system by the influence of electronegative species substitution. European Journal of Molecular & Clinical Medicine, 2023; 10(1): 2690-2704.

  • Home
  • About Journal
  • Editorial Board
  • Submit Manuscript
  • Contact Us
  • Glossary
  • Sitemap

News

 

For Special Issue Proposal : editor.ejmcm21@gmail.com

Newsletter Subscription

Subscribe to the journal newsletter and receive the latest news and updates

© Journal Management System. Powered by ejournalplus