Ligand rotation distinguishes first- and second-generation ruthenium metathesis catalysts

Adlhart, Christian; Chen, Peter

doi:10.1002/1521-3773(20021202)41:23<4484::AID-ANIE4484>3.0.CO;2-Q

Publication type:	Article in scientific journal
Type of review:	Peer review (publication)
Title:	Ligand rotation distinguishes first- and second-generation ruthenium metathesis catalysts
Authors:	Adlhart, Christian Chen, Peter
DOI:	10.1002/1521-3773(20021202)41:23<4484::AID-ANIE4484>3.0.CO;2-Q
Published in:	Angewandte Chemie: International Edition
Volume(Issue):	41
Issue:	23
Page(s):	4484
Pages to:	4487
Issue Date:	2-Dec-2002
Publisher / Ed. Institution:	Wiley
ISSN:	1433-7851 0570-0833
Language:	English
Subjects:	Force-field calculations; Theoretical chemistry; Density-functional calculations; Homogeneous catalysis
Subject (DDC):	660: Chemical engineering
Abstract:	QM/MM provides a new twist: In olefin metathesis with first‐generation Ru catalyst 1, the rotation of the phosphane ligand with threefold symmetry is the rate‐determining step. Second‐generation catalyst 2 is more active: the rotation step is not required as the carbene ligand has twofold symmetry. Combined QM/MM calculations confirm the results of earlier experimental investigations.
URI:	https://digitalcollection.zhaw.ch/handle/11475/2096
Fulltext version:	Published version
License (according to publishing contract):	Licence according to publishing contract
Departement:	Life Sciences and Facility Management
Organisational Unit:	Institute of Chemistry and Biotechnology (ICBT)
Appears in collections:	Publikationen Life Sciences und Facility Management

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Adlhart, C., & Chen, P. (2002). Ligand rotation distinguishes first- and second-generation ruthenium metathesis catalysts. Angewandte Chemie: International Edition, 41(23), 4484–4487. https://doi.org/10.1002/1521-3773(20021202)41:23<4484::AID-ANIE4484>3.0.CO;2-Q

Adlhart, C. and Chen, P. (2002) ‘Ligand rotation distinguishes first- and second-generation ruthenium metathesis catalysts’, Angewandte Chemie: International Edition, 41(23), pp. 4484–4487. Available at: https://doi.org/10.1002/1521-3773(20021202)41:23<4484::AID-ANIE4484>3.0.CO;2-Q.

C. Adlhart and P. Chen, “Ligand rotation distinguishes first- and second-generation ruthenium metathesis catalysts,” Angewandte Chemie: International Edition, vol. 41, no. 23, pp. 4484–4487, Dec. 2002, doi: 10.1002/1521-3773(20021202)41:23<4484::AID-ANIE4484>3.0.CO;2-Q.

ADLHART, Christian und Peter CHEN, 2002. Ligand rotation distinguishes first- and second-generation ruthenium metathesis catalysts. Angewandte Chemie: International Edition. 2 Dezember 2002. Bd. 41, Nr. 23, S. 4484–4487. DOI 10.1002/1521-3773(20021202)41:23<4484::AID-ANIE4484>3.0.CO;2-Q

Adlhart, Christian, and Peter Chen. 2002. “Ligand Rotation Distinguishes First- and Second-Generation Ruthenium Metathesis Catalysts.” Angewandte Chemie: International Edition 41 (23): 4484–87. https://doi.org/10.1002/1521-3773(20021202)41:23<4484::AID-ANIE4484>3.0.CO;2-Q.

Adlhart, Christian, and Peter Chen. “Ligand Rotation Distinguishes First- and Second-Generation Ruthenium Metathesis Catalysts.” Angewandte Chemie: International Edition, vol. 41, no. 23, Dec. 2002, pp. 4484–87, https://doi.org/10.1002/1521-3773(20021202)41:23<4484::AID-ANIE4484>3.0.CO;2-Q.