Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst

DOI

DFT calculations were carried out to explore all relevant pathways for the ring-closing metathesis (RCM) reaction of a cationic molybdenum imido alkylidene N-heterocyclic carbene (NHC) catalyst with α,ω-dienes.The 1H NMR spectrum of the reaction between [Mo(N-2,6-Me2-C6H3)(CHCMe2Ph)(IMes)(OCH(CF3)2)+ B(ArF)4–] and 1,7-octadiene confirms the absence of any β-H transfer. All NMR spectra of for the characterization of [Mo(N-2,6-Me2-C6H3)(CHCMe2Ph)(IMes)(OCH(CF3)2)+ B(ArF)4–] as well as the spectra of all NMR experiments discussed in the supporting information are included. Used methods and instruments (with their parameters) for the aquisition of spectra can be found in the supporting information of the paper.

Identifier
DOI https://doi.org/10.18419/darus-1714
Related Identifier https://doi.org/10.1021/acs.organomet.0c00311
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-1714
Provenance
Creator Kesharwani, Manoj Kumar ORCID logo; Elser, Iris ORCID logo; Musso, Janis ORCID logo; Buchmeiser, Michael ORCID logo; Kästner, Johannes ORCID logo
Publisher DaRUS
Contributor Buchmeiser, Michael
Publication Year 2021
Funding Reference Deutsche Forschungsgemeinschaft DFG 358283783 (SFB 1333)
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Buchmeiser, Michael (Universität Stuttgart)
Representation
Resource Type Dataset
Format application/zip
Size 572343; 2200049
Version 1.0
Discipline Chemistry; Natural Sciences