Data for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach" (ICPSR doi:10.18419/darus-1701)

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Document Description

Citation

Title:

Data for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach"

Identification Number:

doi:10.18419/darus-1701

Distributor:

DaRUS

Date of Distribution:

2021-04-30

Version:

1

Bibliographic Citation:

Benedikter, Mathis, 2021, "Data for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach"", https://doi.org/10.18419/darus-1701, DaRUS, V1

Study Description

Citation

Title:

Data for: "Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach"

Identification Number:

doi:10.18419/darus-1701

Authoring Entity:

Benedikter, Mathis (Universität Stuttgart)

Grant Number:

358283783 - SFB 1333

Distributor:

DaRUS

Access Authority:

Buchmeiser, Michael

Depositor:

Benedikter, Mathis

Date of Deposit:

2021-03-11

Study Scope

Keywords:

Chemistry, metal complex, metathesis, catalysis, transition metal, molybdenum, Mössbauer spectrometry

Topic Classification:

inorganic chemistry

Abstract:

All primary data files contributed to the publication by the Buchmeiser group can be found here. Procedures, reaction conditions and used analytical equipment is discussed in detail in the experimental section or the supporting information of the paper. Productivities in olefin metathesis reactions were examined via gas-chromatography / mass spectrometry (GC-MS) analysis and can be found in the GC-MS folder. Nuclear magnetic resonance (NMR) Spectra are named according to the numbering in the publication. ¹H-NMR, ¹⁹F-NMR and ¹³C-NMR spectra were recorded using a Bruker Avance III 400 (400MHz for 1H, 101MHz for 13C) spectrometer. NMR files can be opened with software such as MestReNova or TopSpin. Mössbauer-Data are provided as text-files and can be plotted with software such as MS Excel.

Methodology and Processing

Sources Statement

Data Access

Notes:

CC BY Waiver

Other Study Description Materials

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CCDC 2016501 (compound 1, <a href="https://doi.org/10.5517/ccdc.csd.cc25pbfn">DOI: 10.5517/ccdc.csd.cc25pbfn</a>)

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CCDC 2016500 (compound 3, <a href="https://doi.org/10.5517/ccdc.csd.cc25pbdm">DOI: 10.5517/ccdc.csd.cc25pbdm</a>)

CCDC 2016503 (compound 4, <a href="https://doi.org/10.5517/ccdc.csd.cc25pbhq">DOI: 10.5517/ccdc.csd.cc25pbhq</a>)

CCDC 2016504 (compound 5, <a href="https://doi.org/10.5517/ccdc.csd.cc25pbjr">DOI: 10.5517/ccdc.csd.cc25pbjr</a>)

CCDC 2027311 (compound 6, <a href="https://doi.org/10.5517/ccdc.csd.cc261l40">DOI: 10.5517/ccdc.csd.cc261l40</a>)

Related Publications

Citation

Identification Number:

10.1021/acscatal.0c03978

Bibliographic Citation:

Mathis Benedikter, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz, Iris Elser, Felix Ziegler, Felix Fischer, Bernd Plietker, Wolfgang Frey, Johannes Kästner, Mario Winkler, Joris van Slageren, Michal Nowakowski, Matthias Bauer, and Michael R. Buchmeiser, Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catalysis 2020 10 (24), 14810-14823

Other Study-Related Materials

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compound 6.txt

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text/plain

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compound 7.txt

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text/plain

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compound 8.txt

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text/plain

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compound 9.txt

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text/plain

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DaRUS_Metadata.txt

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text/plain

Other Study-Related Materials

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pure compounds.zip

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application/zip

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Reactions of Catalyst 1.zip

Notes:

application/zip

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Reactions of Catalyst 2.zip

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application/zip

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Reactions of Catalyst 3.zip

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application/zip

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Reactions of Catalyst 4.zip

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application/zip