Recently observed unusual chemical reactivities of the N-phosphoryl amino acids reveal a special hexa-coordinate phosphorus intermediate may exist in the reaction process. It looks unstable and has not been observed directly. We report results obtained from ab initio studies of dimethyloxyphosphoryl-threonine and the corresponding hexa-coordinate phosphorus intermediate. The calculated results show that the hexa-coordinate phosphorous intermediate is a stable structure and all the PO and PN bonds in the intermediate should be much more active. From the calculated results, it is very easy to understand the observed reactivities of dimethyloxyphosphoryl-threonine and other similar dialkyloxyphosphoryl amino acids.
|Number of pages||7|
|Journal||Chemical Physics Letters|
|State||Published - Dec 29 1995|
Bibliographical noteFunding Information:
This project was partially supported by Grant-in-Aids for Scientific Research (No. 04243102) and for Priority Area (04640458) of the Ministry of Education, Science and Culture of Japan, and by the Excellent University Teacher's Foundation of the State Education Commission of China. One of the authors (CGZ) wishes to thank the Japan Society for Promotion of Science for providing financial support (JSPS RONPAKU Fellow program) to his stay at the Institute for Molecular Science and to thank Professor Y.F. Zhao for introducing their interesting experimental results to him.
ASJC Scopus subject areas
- Physics and Astronomy (all)
- Physical and Theoretical Chemistry