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

Borislav Kovacević Zvonimir B Maksić

Chem Commun (Camb)

Quantum Chemistry Group, Division of Organic Chemistry and Biochemistry, Ruder Bosković Institute, Bijenicka c. 54, 10000 Zagreb-HR, Croatia.

Published: April 2006

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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http://dx.doi.org/10.1039/b517349cDOI Listing

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