Relationship between the Bowl-Shaped Geometry of Phosphangulene and an Axial Group on the Phosphorus Atom
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Phosphangulene derivatives having various substituents on the phosphorus atom, which featured a bowl geometry and restrained bond angle, were synthesized in order to shed light on the relationship between the bowl geometry and the substituent. X-ray analysis revealed that the bowl geometry is significantly dependent on the axial group. An NBO analysis suggested that the bowl geometries become deep as the s-orbital character of the phosphorus orbital in the P–X bonds increases. The NMR, IR, CV, and DFT showed the large s-character in the P–X bonds of the phosphangulene lone pair.
- Bulletin of the Chemical Society of Japan
Bulletin of the Chemical Society of Japan 89(1), 42-49, 2016
The Chemical Society of Japan