Structural and conformational analysis of a biaryl phosphine integrating a calix[4]arene cavity. Can the phosphorus atom behave as an introverted donor?

Abstract

The conformational preference of a cavity-based biaryl phosphine, namely 5-(2-diphenylphosphinyl-phenyl)-25,26,27,28-tetrapropyloxycalix[4]arene (L) has been investigated by density functional theory calculations. The analysis showed that the barrier to rotation about the C-C...