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

Authors :
Zvonimir B. Maksić
Borislav Kovačević
Source :
Chemical Communications. :1524
Publication Year :
2006
Publisher :
Royal Society of Chemistry (RSC), 2006.

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.

Details

ISSN :
1364548X and 13597345
Database :
OpenAIRE
Journal :
Chemical Communications
Accession number :
edsair.doi.dedup.....15691122f19542c20a3ca1a03f33384f
Full Text :
https://doi.org/10.1039/b517349c