QTAIM study of the bonding in triosmium trihydride cluster [Os3(µ-H)3(µ3-ɳ2-CC7H3(2-CH3)NS)(CO)8]

The Atoms in Molecules (AIM) analysis for triosmium cluster, which contains trihydridede, carbon, carbonyl and 2-methylbenzothiazolide ligands, [Os3(µ-H)3(µ3-ɳ2-CC7H3(2-CH3)NS)(CO)8] is reported. Bonding features in this cluster has been analyzed based on QTAIM ("Quantum Theory of Atoms in Molecules...

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Autores principales:	Nadia Ezzat Al-kirbasee, Shatha Raheem Helal Alhimidi, Muhsen Abood Muhsen Al-Ibadi
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	University of Baghdad, College of Science for Women 2021-12-01
Colección:	مجلة بغداد للعلوم
Materias:	Keywords:- DFT calculations, QTAIM, Metal–metal bonds, Organometallic complexes, Topological analysis.
Acceso en línea:	https://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/4947
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