In Search of Catalytically Active Species in the Surfactant-Mediated Biphasic Alkene Epoxidation with Mimoun-Type Complexes

Dirk V. Deubel; Jörg Sundermeyer; Gernot Frenking

doi:10.1021/ol006775u

In Search of Catalytically Active Species in the Surfactant-Mediated Biphasic Alkene Epoxidation with Mimoun-Type Complexes

Dirk V. Deubel, Jörg Sundermeyer, Gernot Frenking

Research output: Contribution to journal › Article › peer-review

32 Scopus citations

Abstract

(Matrix Presented) A biphasic protocol for the catalytic olefin epoxidation with Mimoun-type complexes [MoO(O₂)₂(OPR₃)] (1) was recently patented by BASF. Density-functional calculations have been carried out to identify potentially active species in addition to the parent complex 1. It has been found that the (μ₂,η¹:η²-O₂)-bridged dimer [MoO(O₂)₂(OPR₃)]₂ is significantly less reactive than the monomer. The calculations show that the parent complex is strongly activated by protons coordinating with the peroxo functionalities.

Original language	English
Pages (from-to)	329-332
Number of pages	4
Journal	Organic Letters
Volume	3
Issue number	3
DOIs	https://doi.org/10.1021/ol006775u
State	Published - 8 Feb 2001
Externally published	Yes

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abstract = "(Matrix Presented) A biphasic protocol for the catalytic olefin epoxidation with Mimoun-type complexes [MoO(O2)2(OPR3)] (1) was recently patented by BASF. Density-functional calculations have been carried out to identify potentially active species in addition to the parent complex 1. It has been found that the (μ2,η1:η2-O2)-bridged dimer [MoO(O2)2(OPR3)]2 is significantly less reactive than the monomer. The calculations show that the parent complex is strongly activated by protons coordinating with the peroxo functionalities.",

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AU - Deubel, Dirk V.

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AU - Frenking, Gernot

PY - 2001/2/8

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AB - (Matrix Presented) A biphasic protocol for the catalytic olefin epoxidation with Mimoun-type complexes [MoO(O2)2(OPR3)] (1) was recently patented by BASF. Density-functional calculations have been carried out to identify potentially active species in addition to the parent complex 1. It has been found that the (μ2,η1:η2-O2)-bridged dimer [MoO(O2)2(OPR3)]2 is significantly less reactive than the monomer. The calculations show that the parent complex is strongly activated by protons coordinating with the peroxo functionalities.

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In Search of Catalytically Active Species in the Surfactant-Mediated Biphasic Alkene Epoxidation with Mimoun-Type Complexes

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