Issue 14, 2006
From the journal:

Chemical Communications

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

Borislav Kovačević*a  and  Zvonimir B. Maksićab  

* Corresponding authors

a Quantum Chemistry Group, Division of Organic Chemistry and Biochemistry, Ruđer Bošković Institute, Bijenička c. 54, Zagreb-HR, Croatia
E-mail: boris@spider.irb.hr
Fax: +385-1-4561118
Tel: +385-1-4561117

b Department of Physical Chemistry, Faculty of Science and Mathematics, The University of Zagreb, Horvatovac 102a, Zagreb-HR, Croatia
E-mail: zmaksic@spider.irb.hr
Fax: +385-1-4561118
Tel: +385-1-4561117

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.

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

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Article information

DOI
https://doi.org/10.1039/B517349C
Article type
Communication
Submitted
08 Dec 2005
Accepted
30 Jan 2006
First published
24 Feb 2006

Chem. Commun., 2006, 1524-1526

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

B. Kovačević and Z. B. Maksić, Chem. Commun., 2006, 1524 DOI: 10.1039/B517349C

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