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.
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