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- W2351446585 abstract "We have chosen 14 mixed - metal, four - nulear cluster compounds formed from IB-VIII or IB elements to study their bonding regularity, liqand effect and energy change using DV -Xa method. Quantum chemical calculation show that they may be classified as three types: the first cluster core presents a triangular pyramid, there are 6 metal skeleton orbitals and is more stable one. For second cluster, its metal skeleton likes a butterfly (double bond at body and single bond at wing), IB atom preserves valence electrons of itself as far as possible and VIII atom make major contribution of charges. In third cluster, the metal bond is strong between two IB atoms and is weak between IB- VIII or IB- VIB atoms, so cluster is more unstable one. We have also found that the triphenyl phosphine liqand is a better electronic adjuster for cluster syntheses -unnecessory. Because emergy of IB metal is difference with VIII or VIB metal, energy of mixed -metal cluster changes clearly, so cluster reaction activity and catalysis selectivity change,too." @default.
- W2351446585 created "2016-06-24" @default.
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- W2351446585 date "1997-01-01" @default.
- W2351446585 modified "2023-09-25" @default.
- W2351446585 title "Quantum chemical research for heterometal four-nuclear cluster compounds of transition metal .2. Electronic structure and energy band of four-nuclear cluster formed from IB-VIII, IB-VIB elements" @default.
- W2351446585 hasPublicationYear "1997" @default.
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