The three title compounds are found to form stable negatively charged states. Si2H2 exhibits two anion states (2A s and 2Bs) corresponding to adiabatic electron affinities (EAs) of 1.76 and 1.23 eV. Si2H3 has two stable anion states ( tA and 3A) associated with EAs of 2.20 and I. 17 eV. Disilene sho
โฆ LIBER โฆ
Pseudopotential calculations on Si2H6 and Si2H4
โ Scribed by Alexander F. Sax
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 734 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
โฆ Synopsis
Local pseudopotential calculations have been performed for the ground state of disilane as well as for the lowest singlet and triplet states of disilene and silylsilylene. Comparison with all-electron calculations shows good agreement for geometries and relative stabilities.
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