The series of phosphine–borane adducts, Ph2(H3CCC)PB(C6F5)3 (8 c), Ph(H3CCC)2PB(C6F5)3 (8 b) and (H3CCC)3PB(C6F5)3 (8 a), was prepared. The X-ray crystal structure analyses revealed close to eclipsed conformations for all members of this series with average dihedral angles θ(C-P-B-C) of 8.1° (8 c), 12.3° (8 b) and 20.3° (8 a). Quantum chemical analysis of these compounds revealed the importance of a subtle interplay between competing attractive and repulsive secondary interactions, causing the surprising eclipsed conformational preference for systems of this degree of complexity. Some cyclic phosphine–borane adducts were studied for comparison.
If you can't find a tool you're looking for, please click the link at the top of the page to "Go to old article view". Alternatively, view our Knowledge Base articles for additional help. Your feedback is important to us, so please let us know if you have comments or ideas for improvement.