Abstract
Ab initio GIAO magnetic shielding calculations have been carried out on the hexa-coordinate phosphorus intermediate and the corresponding reactant and product for the N → O migration reaction of dimethyloxyphosphoryl-threonine. The calculated results lead us to predict that the 31P NMR chemical shift of the hexa-coordinate phosphorus intermediate is -138 ppm, while the 31P chemical shifts of the corresponding reactant and product are 4.9 ppm and -6.6 ppm, respectively.
Original language | English |
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Pages (from-to) | 3-4 |
Number of pages | 2 |
Journal | Chemistry Letters |
Issue number | 1 |
DOIs | |
State | Published - 1997 |
ASJC Scopus subject areas
- General Chemistry