[P₄(Cp*Al)₆]: A Compound with an Unusual P₄Al₆ Cage Structure

Abstract

Two face-sharing Al4P4 cubes, which lack two P atoms at the corners—this is the (idealized) framework of the title compound in the crystal. According to calculations, the isomer with adamantane structure is less stable by 30 to 80 kJ mol−1. As a result of quantum mechanical calculations on the model [P4(CpAl)6], [P4(Cp*Al)6] can be characterized as an electron-deficient compound that is stabilized by considerable ionic bonding contributions.