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Title

The Study of Substituent effect on Osmabenzene complexes

Year: 1393
COI: JR_IJNC-1-1_004
Language: EnglishView: 377
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Authors

Reza Ghiasi - Department of Chemistry, Basic Science Faculty, East Tehran Branch, Qiam Dasht, Islamic Azad University,Tehran, Iran
Roya Ahmadi - Department of Chemistry, Faculty of Basic Sciences, Islamic Azad University, Yadegar Emam Khomeini Branch, T ehran,Iran

Abstract:

The electronic structure and properties of the osmaabenzenes and para substituted osmabenzenes have been explored using the hybrid density functional mpw1 pw91 theory. Systematic studies on the substituent effect in para substituted osmabenzenes complexes have been studied. The following substituents were taken into consideration: H, F, CH ,OH, NH , CN, NO , CHO, and COOH. Basic measures of aromatic character were derived from the structure and nucleus-independent chemical shift (NICS). The NICS calculations indicate a correlation between NICS(1.5) and the hardness in all species. Quantum theory of atoms in molecule analysis (QTAIM) indicates a correlation between p(Os-C) bonds and the electron density of bond critical point in all species.

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This Paper COI Code is JR_IJNC-1-1_004. Also You can use the following address to link to this article. This link is permanent and is used as an article registration confirmation in the Civilica reference:

https://civilica.com/doc/792611/

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Ghiasi, Reza and Ahmadi, Roya,1393,The Study of Substituent effect on Osmabenzene complexes,https://civilica.com/doc/792611

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Type of center: Azad University
Paper count: 1,479
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