| Autor: |
Kryuchkova, Natalya A., Ryzhikov, Maxim R., Syrokvashin, Mikhail M. |
| Předmět: |
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| Zdroj: |
Journal of Cluster Science; Mar2021, Vol. 32 Issue 2, p415-421, 7p |
| Abstrakt: |
The electronic structure of heterometallic cubane-type clusters with core {Mo3S4M′} (M′ = Cu+, Ni0, Pd0) was investigated by the Atoms in Molecules and Electron Localization Function topological methods as well as Energy Decomposition Analysis. It was found that {Mo3S4Cu} and {Mo3S4M′} (M′= Ni, Pd) clusters have a different interaction between molybdenum and heterometallic atoms. In case of the complexes with Ni/Pd atom, the disynaptic basins on the Mo–M′ bonds were observed in contrast to the Cu containing complex. The complex formation between heterometallic fragments and trinuclear molybdenum complex {Mo3S4} were found to be hindered due to steric interactions. Nevertheless, the formation of the heterometallic cubane-type clusters occurs due to the multicenter and pair covalent interactions between Mo and M′ atoms. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
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