The topological classification of the bonding
in[(CP’Ru)2 (Cp’Os)(μ3-N)2(μ-H)3] cluster
الباحث الأول:
Muhsen Abood Muhsen Al-Ibadi
الباحثين الآخرين:
Nadia Ezzat Alkurbasy
Shatha Raheem Helal Alhimidi
المجلة:
The 7th International Conference on Applied Science and Technology (ICAST 2019)
تاريخ النشر:
None
مختصر البحث:
The bonding interaction, such as M-M, M-N and M-C, in the [(Cp'Ru)2(Cp'Os) (μ3-N)2(μ-H)3] (Cp'=μ5-
C5Me5) cluster was investigated using the atoms in molecules quantum theory (QTAIM). Based on this theory, the
topological properties of the electro…
The bonding interaction, such as M-M, M-N and M-C, in the [(Cp'Ru)2(Cp'Os) (μ3-N)2(μ-H)3] (Cp'=μ5-
C5Me5) cluster was investigated using the atoms in molecules quantum theory (QTAIM). Based on this theory, the
topological properties of the electron density of the bonding interactions existence in the cluster have been calculated.
The results confirm that the bonding, as well as bond critical points and the corresponding bond paths, have not been
found between Ru-Ru and Ru-Os interactions. The existence of bridging hydrides and nitrogen atoms significantly
affects the distribution of the electron density of Ru-Ru and Ru-Os interactions. The Ru-N and Os-N bonds with small
values for electron density ρ (b), positive values for laplacian
