Substituent Effect in para Substituted Osmabenzene Complexes

Authors

  • Reza Ghiasi Islamic Azad University
  • Allieh Boshak Islamic Azad University

DOI:

https://doi.org/10.29356/jmcs.v57i1.229

Abstract

The electronic structure and properties of the osmabenzene and para substituted osmabenzenes have been explored using the hybrid density functional mpw1pw91 theory. The substituent effects of F, CH3, OH, CN, NO2, CHO and COOH in para osmabenzenes complexes were studied. Basic measures of aromatic character were derived from the structure and nucleus-independent chemical shift (NICS). Quantum theory of atoms in molecules analysis (QTAIM) indicates a correlation between ρ(Os-C) bonds and the electron density of bond critical point in all species.

Downloads

Download data is not yet available.

Author Biographies

Reza Ghiasi, Islamic Azad University

Department of Chemistry, Basic Science Faculty, East Tehran Branch, Qiam Dasht, Tehran

Allieh Boshak, Islamic Azad University

Department of Chemistry, Basic Science Faculty, East Tehran Branch, Qiam Dasht, Tehran

Downloads

Published

2017-10-12

Issue

Vol. 57 No. 1 (2013): Regular Issue

Section

Regular Articles

License

Authors who publish with this journal agree to the following terms:

  • Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
  • Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.