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A Main‐Group Analogue of Housene: The Subtle Influence of the Inert‐Pair Effect in Group 15 Clusters

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Citation

Fish, C., Green, M., Jeffery, J. C., Kilby, R. J., Lynam, J. M., McGrady, J. E., et al. (2006). A Main‐Group Analogue of Housene: The Subtle Influence of the Inert‐Pair Effect in Group 15 Clusters. Angewandte Chemie International Edition, 45(40), 6685-6689. doi:10.1002/anie.200601804.


Cite as: https://hdl.handle.net/21.11116/0000-0007-3050-8
Abstract
The carbon–phosphorus–antimony cage of P2C2tBu2SbCl (see picture) adopts an envelope‐type structure which is quite distinct from its phosphorus analogue, the tricyclic compound P2C2tBu2PCl. DFT calculations reveal that subtle changes in electronic structure as a result of the inert‐pair effect lead to profound differences in structural and dynamic behavior.