A Theoretical Investigation of Chemical Bonding of a Heterometallic Trinuclear Cluster Containing Iridium and Ruthenium: [(Cp*Ir) (CpRu)2 (μ3-H) (μ-H)3] by QTAIM Approach

A Theoretical Investigation of Chemical Bonding of a Heterometallic Trinuclear Cluster Containing Iridium and Ruthenium: [(Cp*Ir) (CpRu)2 (μ3-H) (μ-H)3] by QTAIM Approach

  Numerous integral and local electron density’s topological parameters of significant metal-metal and metal-ligand bonding interactions in a trinuclear tetrahydrido cluster [(Cp* Ir) (Cp Ru)2 (μ3-H) (μ-H)3]1 (Cp = η5 -C5Me5), (Cp* = η5 -C5Me4Et) were calculated and interpreted by using the quantum...

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Bibliographic Details
Main Authors: Ahlam Hussein Hassan, Muhsen Abood Muhsen Al-Ibadi
Format: Article
Language:English
Published: University of Baghdad, College of Science for Women 2024-01-01
Series:مجلة بغداد للعلوم
Subjects:
Bonding analysis for the trinuclear cluster, DFT calculation, QTAIM approach, Topological properties, and Trinuclear tetrahydrido cluster
Online Access:https://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/7945
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https://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/7945

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