2006•Chemical CommunicationsRequires access

High basicity of phosphorus–proton affinity of tris-(tetramethylguanidinyl)phosphine and tris-(hexamethyltriaminophosphazenyl)phosphine by DFT calculations

Borislav Kovačević, Zvonimir B. Maksić

Abstract

It is shown by approximate but reliable DFT calculations that the title compounds represent very strong superbases in gas phase and MeCN. In particular, tris-(hexamethyltriaminophosphazenyl)phosphine has a proton affinity, PA, of 295.5 kcal mol(-1) and records a pKa(MeCN) of 50 +/- 1 units.

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Key concepts: Phosphine, Tris, Proton affinity, Chemistry, Proton, Gas phase, Phosphorus, Computational chemistry