The asymmetric Schrock olefin metathesis catalysts. A computational study

T.P.M. Goumans; A.W. Ehlers; K. Lammertsma

doi:10.1021/om050109l

The asymmetric Schrock olefin metathesis catalysts. A computational study

T.P.M. Goumans
, A.W. Ehlers
, K. Lammertsma

Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

The mechanism of the transition metal catalyzed olefin metathesis reaction with the Schrock catalyst is investigated with pure (BP86) and hybrid (B3LYP) density functional theory. On the free-energy surface there is no adduct between ethylene and model catalyst (MeO)

Original language	English
Pages (from-to)	3200-3206
Number of pages	6
Journal	Organometallics
Volume	24
DOIs	https://doi.org/10.1021/om050109l
Publication status	Published - 2005

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SDG 7 Affordable and Clean Energy

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10.1021/om050109l

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title = "The asymmetric Schrock olefin metathesis catalysts. A computational study",

abstract = "The mechanism of the transition metal catalyzed olefin metathesis reaction with the Schrock catalyst is investigated with pure (BP86) and hybrid (B3LYP) density functional theory. On the free-energy surface there is no adduct between ethylene and model catalyst (MeO)",

author = "T.P.M. Goumans and A.W. Ehlers and K. Lammertsma",

year = "2005",

doi = "10.1021/om050109l",

language = "English",

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pages = "3200--3206",

journal = "Organometallics",

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AU - Goumans, T.P.M.

AU - Ehlers, A.W.

AU - Lammertsma, K.

PY - 2005

Y1 - 2005

N2 - The mechanism of the transition metal catalyzed olefin metathesis reaction with the Schrock catalyst is investigated with pure (BP86) and hybrid (B3LYP) density functional theory. On the free-energy surface there is no adduct between ethylene and model catalyst (MeO)

AB - The mechanism of the transition metal catalyzed olefin metathesis reaction with the Schrock catalyst is investigated with pure (BP86) and hybrid (B3LYP) density functional theory. On the free-energy surface there is no adduct between ethylene and model catalyst (MeO)

U2 - 10.1021/om050109l

DO - 10.1021/om050109l

M3 - Article

SN - 1520-6041

VL - 24

SP - 3200

EP - 3206

JO - Organometallics

JF - Organometallics

ER -

The asymmetric Schrock olefin metathesis catalysts. A computational study

Abstract

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