The structure of protonated disilene

The open and cyclic forms of Si 2 H 5 + have been calculated at the SCF level and with inclusion of electron correlation energy. Our final results indicate that both structures are about equally stable. The proton affinity of disilene is calculated as 207 kcal/mol.

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Bibliographic Details
Published in:Chemical physics letters 1983-01, Vol.98 (5), p.454-456
Main Authors: Köhler, Hans-Joachim, Lischka, Hans
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Electron correlation calculations for atoms and molecules
Electronic structure of atoms, molecules and their ions: theory
Exact sciences and technology
Physics
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Description
Summary:The open and cyclic forms of Si 2 H 5 + have been calculated at the SCF level and with inclusion of electron correlation energy. Our final results indicate that both structures are about equally stable. The proton affinity of disilene is calculated as 207 kcal/mol.
ISSN:0009-2614
1873-4448
DOI:10.1016/0009-2614(83)80086-4