Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst (ICPSR doi:10.18419/darus-1714)

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Document Description

Citation

Title:

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

Identification Number:

doi:10.18419/darus-1714

Distributor:

DaRUS

Date of Distribution:

2021-03-25

Version:

1

Bibliographic Citation:

Kesharwani, Manoj Kumar; Elser, Iris; Musso, Janis; Buchmeiser, Michael; Kästner, Johannes, 2021, "Replication data of Buchmeiser group for: Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Catalyst", https://doi.org/10.18419/darus-1714, DaRUS, V1

Study Description

Citation

Title:

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

Identification Number:

doi:10.18419/darus-1714

Authoring Entity:

Kesharwani, Manoj Kumar (Universität Stuttgart)

Elser, Iris (Universität Stuttgart)

Musso, Janis (Universität Stuttgart)

Buchmeiser, Michael (Universität Stuttgart)

Kästner, Johannes (Universität Stuttgart)

Grant Number:

358283783 (SFB 1333)

Distributor:

DaRUS

Access Authority:

Buchmeiser, Michael

Depositor:

Musso, Janis

Date of Deposit:

2021-03-12

Study Scope

Keywords:

Chemistry, Reaction Mechanism, Cationic Molybdenum Alkylidene NHC Complexes, Ring-Closing-Metathesis

Abstract:

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.

Methodology and Processing

Sources Statement

Data Access

Notes:

CC BY Waiver

Other Study Description Materials

Related Publications

Citation

Identification Number:

10.1021/acs.organomet.0c00311

Bibliographic Citation:

Kesharwani, M. K.; Elser, I.; Musso, J. V.; Buchmeiser, M. R.; Kästner, J., Reaction Mechanism of Ring-Closing Metathesis with a Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Catalyst. Organometallics 2020, 39 (17), 3146-3159.

Other Study-Related Materials

Label:

NMR Experiments.zip

Notes:

application/zip

Other Study-Related Materials

Label:

NMR Spectra of [Mo(N-2,6-Me2-C6H3)(CHCMe2Ph)(IMes)(OCH(CF3)2)+B(ArF)4-].zip

Notes:

application/zip