Partial financial support by the Fonds der Chemischen Industrie is gratefully acknowledged. We are deeply grateful to Prof. Dieter Fenske for the donation of an X-ray diffractometer. We thank Alexander Baldes for the calculation of the WBI and PABOON indices.
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Communication
Pentagerma[1.1.1]propellane: A Combined Experimental and Quantum Chemical Study on the Nature of the Interactions between the Bridgehead Atoms†
Article first published online: 15 JAN 2009
DOI: 10.1002/anie.200805289
Copyright © 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Nied, D., Klopper, W. and Breher, F. (2009), Pentagerma[1.1.1]propellane: A Combined Experimental and Quantum Chemical Study on the Nature of the Interactions between the Bridgehead Atoms. Angew. Chem. Int. Ed., 48: 1411–1416. doi: 10.1002/anie.200805289
- †
Publication History
- Issue published online: 30 JAN 2009
- Article first published online: 15 JAN 2009
- Manuscript Received: 29 OCT 2008
Funded by
- Fonds der Chemischen Industrie
Keywords:
- biradicaloid species;
- cluster compounds;
- density functional calculations;
- germanium;
- metallapropellanes
Abstract
Ge, whiz! A detailed study of the synthesis, structure, redox chemistry, and bonding properties of pentagerma[1.1.1]propellane (1, see picture) examines fundamental aspects of the interactions between the bridgehead germanium atoms. DFT and CASSCF calculations unravel the biradicaloid characteristics of 1, and preliminary reactivity studies indicate that 1 features some radical-type behavior.