Chemical Communications, issue 46, pages 6194

Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR)

Diego Benitez ¹

Ekaterina Tkatchouk ¹

William A. III Goddard ¹

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Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, USA |

Publication type: Journal Article

Publication date: 2008-10-23

Royal Society of Chemistry (RSC)

Journal: Chemical Communications

scimago Q1

SJR: 1.133

CiteScore: 8.6

Impact factor: 4.3

ISSN: 13597345, 1364548X

DOI: 10.1039/b815665d

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PubMed ID: 19082117

Materials Chemistry

Metals and Alloys

Surfaces, Coatings and Films

General Chemistry

Ceramics and Composites

Electronic, Optical and Magnetic Materials

Catalysis

Abstract

Using density functional theory with the B3LYP and M06 functionals, we show conclusively that the (H(2)IMes)(Cl)(2)Ru olefin metathesis mechanism is bottom-bound with the chlorides remaining trans throughout the reaction, thus attempts to effect diastereo- and enantioselectivity should focus on manipulations that maintain the trans-dichloro Ru geometry.

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Benitez D., Tkatchouk E., Goddard W. A. I. Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR) // Chemical Communications. 2008. Vol. 46. p. 6194.

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RIS Copy

TY - JOUR

DO - 10.1039/b815665d

UR - https://doi.org/10.1039/b815665d

TI - Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR)

T2 - Chemical Communications

AU - Benitez, Diego

AU - Tkatchouk, Ekaterina

AU - Goddard, William A. III

PY - 2008

DA - 2008/10/23

PB - Royal Society of Chemistry (RSC)

SP - 6194

IS - 46

PMID - 19082117

SN - 1359-7345

SN - 1364-548X

ER -

BibTex

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@article{2008_Benitez,

author = {Diego Benitez and Ekaterina Tkatchouk and William A. III Goddard},

title = {Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR)},

journal = {Chemical Communications},

year = {2008},

publisher = {Royal Society of Chemistry (RSC)},

month = {oct},

url = {https://doi.org/10.1039/b815665d},

number = {46},

pages = {6194},

doi = {10.1039/b815665d}

}

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Publisher

Royal Society of Chemistry (RSC)

Journal

Chemical Communications

scimago Q1

SJR

1.133

CiteScore

8.6

Impact factor

4.3

ISSN

13597345 (Print)

1364548X (Electronic)

Profiles

Goddard III, William Andrew