Phosphole, pyrrole, and their tetrahydro derivatives: A theoretical study of their properties

摘要

A theoretical analysis of four molecules (phosphole, phospholane, pyrrole, and pyrrolidine) in their ground and transition states has been carried out. The transition state of phosphole is highly aromatic and a partition of its energy into atomic contributions reveals that it is the phosphorus atom that is responsible for this observation. © Springer Science+Business Media, Inc. 2006.