Using a molecular cluster with 71 atoms, we studied the electronic and structural properties of nitrogen vacancy, boron antisite, and oxygen in cubic boron nitride through an ab initio Hartree᎐Fock calculation. We found that all defects introduce a deep state above the middle-energy gap. These defec
Structural and Electronic Properties of Neutral Phosphoniobenzo[c]phospholides
✍ Scribed by Stefan Häp; Laszlo Szarvas; Martin Nieger; Dietrich Gudat
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 427 KB
- Volume
- 2001
- Category
- Article
- ISSN
- 1434-1948
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✦ Synopsis
The neutral monophosphoniobenzo[c]phospholides 2 and 3 were selectively prepared by reduction of bis(triphenylphosphonio)benzophospholide chloride 1[Cl]. Compound 3 was further converted into the borane adduct 6 and the thioxophosphorane 7. All products were characterised by spectroscopic methods and X-ray diffraction. The most notable features of the molecular structures are the significantly different distances of the two P-C bonds adjacent to the two-coordinate phosphorus atom (P2-C1 175.0-176.6, P2-C3 171.7-173.5 pm), and a short exocyclic C-P(phosphonio) bond (C1-P1 172.5-173.7 pm) relative to cationic derivatives such as 1. Structure comparisons revealed further variations in the bond lengths, which can be related to the changes in [a] Anorganisch Chemisches
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