10.18419/darus-1714Kesharwani, Manoj KumarManoj KumarKesharwani0000-0002-8247-5119Universität StuttgartElser, IrisIrisElser0000-0002-7569-9560Universität StuttgartMusso, JanisJanisMusso0000-0002-8714-4511Universität StuttgartBuchmeiser, MichaelMichaelBuchmeiser0000-0001-6472-5156Universität StuttgartKästner, JohannesJohannesKästner0000-0001-6178-7669Universität StuttgartReplication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene CatalystDaRUS2021ChemistryReaction MechanismCationic Molybdenum Alkylidene NHC ComplexesRing-Closing-MetathesisBuchmeiser, MichaelMichaelBuchmeiserUniversität Stuttgart2021-03-122021-03-2510.1021/acs.organomet.0c003115723432200049application/zipapplication/zip1.0CC BY 4.0DFT 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.Deutsche Forschungsgemeinschaft DFG358283783 (SFB 1333)