On the synthesis and reactivity of highly labile pseudohalogen phosphenium ions

Inorg Chem. 2013 May 6;52(9):5214-25. doi: 10.1021/ic4001285. Epub 2013 Apr 24.

Abstract

The synthesis and characterization of salts bearing highly labile pseudohalogen-substituted aminophosphenium cations of the type [(Me3Si)2NPX][GaCl4] (X = NCO, NCS, O(SiMe3)) and their respective reactivity toward Lewis bases (4-dimethylaminopyridine, dmap) and dienes (2,3-dimethyl-1,3-butadiene, dmb; 1,3-cyclo-hexadiene, chd) are described. As π-acidic species, aminophosphenium cations react with dmap at low temperatures to yield adduct salts of the type [(Me3Si)2NP(dmap)X][GaCl4] (X = Cl, N3, NCO) which were fully characterized. In the reaction with dienes at -50 °C, salts bearing phospholenium cations were obtained that could be structurally characterized. The crystal structures of novel 7-phosphanorbornenium cations of the type [(Me3Si)2NP(C6H8)X][GaCl4] (X = Cl, N3, NCO) are reported. All compounds were further investigated by means of density functional theory, and the bonding situation was accessed by Natural Bond Orbital (NBO) analysis.