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High basicity of phosphorus–proton affinity of tris-(tetramethylguanidinyl)phosphine and tris-(hexamethyltriaminophosphazenyl)phosphine by DFT calculations
- 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.
- Subjects :
- Tris
Phosphorus
Inorganic chemistry
Metals and Alloys
chemistry.chemical_element
General Chemistry
Catalysis
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Gas phase
chemistry.chemical_compound
chemistry
Materials Chemistry
Ceramics and Composites
Proton affinity
Phosphine
Subjects
Details
- ISSN :
- 1364548X and 13597345
- Database :
- OpenAIRE
- Journal :
- Chemical Communications
- Accession number :
- edsair.doi.dedup.....15691122f19542c20a3ca1a03f33384f
- Full Text :
- https://doi.org/10.1039/b517349c