Theoretical investigations on the mechanism of chalcogens exchange reaction between P(V) and P(III) compounds |
| |
Authors: | Martin Kullberg |
| |
Institution: | a Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91 Stockholm, Sweden b Institute of Bioorganic Chemistry, Polish Academy of Sciences, Noskowskiego 12/14, 61-704 Poznan, Poland |
| |
Abstract: | Two mechanistic pathways for chalcogens transfer from P(V) to P(III) compounds were explored using density functional theory calculations and for both of them the corresponding transition states were identified. The calculations showed that transfer of sulfur and selenium proceeds most likely via an X-philic attack of the phosphorus nucleophile on the chalcogen, while for the oxygen transfer reaction, a mechanism involving a three-membered cyclic transition state is equally likely. |
| |
Keywords: | Chalcogens Exchange Calculations |
本文献已被 ScienceDirect 等数据库收录! |
|