Repozytorium
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Inne
Structures and energies of the lithiated silanes.
Autorzy
Rok wydania
1989
Czasopismo
Journal of the Chemical Society-Perkin Transactions 2: Physical Organic Chemistry
Strony
131-135
DOI
10.1039/P29890000131
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
Preliminary ab initio calculations for the entire series of lithiated silanes SiH4-,Li, are reported. Tetrahedral and planar structures of these species are fully optimized and the resulting tetrahedral- planar energy differences are estimated and compared with those of the lithiated methanes. Basis set effects on the calculated structures of lithiated silanes are discussed. In addition performance of the semiempirical MNDO method in the case of the silicon-lithium systems considered is assessed.
Adres publiczny
DOI https://doi.org/10.1039/P29890000131
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