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NMR data of a Grubbs 2nd generation catalyst p-cresolate derivative
M R Swart1, Barend C B Bezuidenhoudt1, C Marais1
1Department of Chemistry, University of the Free State, Bloemfontein, 9300, Republic of South Africa.
Data in Brief
|December 23, 2020
Summary
This study details the Nuclear Magnetic Resonance (NMR) characterization of a novel Grubbs 2nd generation catalyst derivative. The data confirms the formation of a ruthenium-oxygen coordination compound with a p-cresolate ligand.
Area of Science:
- Organometallic Chemistry
- Catalysis
- Spectroscopy
Background:
- Grubbs 2nd generation catalyst is a vital tool in olefin metathesis.
- Modification of catalyst ligands can alter reactivity and properties.
- Ruthenium-oxygen coordination compounds have diverse applications.
Purpose of the Study:
- To report the comprehensive NMR characterization data for a p-cresol derivative of Grubbs 2nd generation catalyst.
- To confirm the structural integrity and coordination of the p-cresolate ligand.
- To provide a detailed spectroscopic dataset for a novel Ru-O coordination compound.
Main Methods:
- 1D and 2D Nuclear Magnetic Resonance (NMR) spectroscopy.
- Techniques include proton (1H) and carbon (13C) NMR.
- Advanced NMR methods: Heteronuclear Single Quantum Coherence (HSQC), Heteronuclear Multiple Bond Correlation (HMBC), Homonuclear Correlation Spectroscopy (COSY), Nuclear Overhauser Effect (NOE), and Distortionless Enhancement by Polarization Transfer (DEPT).
Main Results:
- Detailed spectroscopic data for the p-cresol derivative (compound 3) is presented.
- NMR analysis confirms the replacement of a chloride ligand with a p-cresolate ligand.
- Evidence of a stable ruthenium-oxygen coordination bond is established.
Conclusions:
- The spectroscopic data unequivocally characterizes the p-cresol derivative of Grubbs 2nd generation catalyst.
- The formation of the Ru-O coordination compound is confirmed through extensive NMR analysis.
- This dataset serves as a valuable reference for future studies involving similar organometallic complexes.
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