Data

Explorations into the rare earth chemistry of biphenolates and superbulky cyclopentadienyl ligands, and a study of C-F activation by rare earth metals - characterisation data

James Cook University
Shephard, Angus ; Junk, Peter ; Davies, Murray ; Jaroschik, Florian ; Deacon, Glen
Viewed: [[ro.stat.viewed]] Cited: [[ro.stat.cited]] Accessed: [[ro.stat.accessed]]
ctx_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rfr_id=info%3Asid%2FANDS&rft_id=info:doi10.25903/8bpq-z933&rft.title=Explorations into the rare earth chemistry of biphenolates and superbulky cyclopentadienyl ligands, and a study of C-F activation by rare earth metals - characterisation data&rft.identifier=10.25903/8bpq-z933&rft.publisher=James Cook University&rft.description=This data set includes the characterisation data for all compounds and complexes outlined in the thesis. Software/equipment used to create/collect the data: NMR data were collected using a Bruker 400 MHz NMR instrument, and processed using TopSpin 3.5. Infrared data were collected using a Nicolet 6700 FTIR spectrometer, using OMNIC 9 to process the data. X-ray crystal data were collected using the MX1: Macromolecular Crystallography beamline at the Australian Synchrotron, and processed using Blu-Ice, using a Bruker X8 APEX II, and processed using the SAINT program, and using a Rigaku SynergyS diffractometer, and processed with CrysAlisPro.55 software suite. Software/equipment used to manipulate/analyse the data: NMR data were analysed using MestReNova 14.1.2 (saved as .mnova files) Infrared data were analysed using OMNIC 9 (saved as .SPA files) X-ray crystal data were analysed using Olex2.1.5 (raw data and .cif, .hkl and .res files)This dataset contains NMR, IR, and crystallographic data files for the rare earth biphenolate, cyclopentadienyl, formamidinate, and pyrazolate species synthesised in the thesis.&rft.creator=Shephard, Angus &rft.creator=Junk, Peter &rft.creator=Davies, Murray &rft.creator=Jaroschik, Florian &rft.creator=Deacon, Glen &rft.date=2023&rft.relation=https://doi.org/10.1039/D1DT02513A&rft.relation=https://doi.org/10.1071/CH21324&rft.relation=https://doi.org/10.1002/asia.202101328&rft.relation=https://doi.org/10.1039/D2CC00698G&rft.coverage=east=3.865283; north=43.634758; projection=WGS84&rft.coverage=east=3.86853; north=43.620734; projection=WGS84&rft.coverage=east=146.759579; north=-19.326986; projection=WGS84&rft.coverage=east=145.142658; north=-37.913983; projection=WGS84&rft.coverage=&rft_rights=Once access to the data has been obtained via negotiation with the Data Manager, use of the dataset is governed by the CC BY 4.0 licence.&rft_rights=CC BY 4.0: Attribution 4.0 International http://creativecommons.org/licenses/by/4.0&rft_subject=NMR spectra&rft_subject=crystallography&rft_subject=infrared spectra&rft_subject=rare earth elements&rft_subject=biphenolate&rft_subject=cyclopentadienyl&rft.type=dataset&rft.language=English Access the data
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CC BY 4.0: Attribution 4.0 International
http://creativecommons.org/licenses/by/4.0

Once access to the data has been obtained via negotiation with the Data Manager, use of the dataset is governed by the CC BY 4.0 licence.

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Conditional: Contact researchdata@jcu.edu.au to request access to this data.

Brief description

This dataset contains NMR, IR, and crystallographic data files for the rare earth biphenolate, cyclopentadienyl, formamidinate, and pyrazolate species synthesised in the thesis.

Full description

This data set includes the characterisation data for all compounds and complexes outlined in the thesis.

Software/equipment used to create/collect the data: NMR data were collected using a Bruker 400 MHz NMR instrument, and processed using TopSpin 3.5. Infrared data were collected using a Nicolet 6700 FTIR spectrometer, using OMNIC 9 to process the data. X-ray crystal data were collected using the MX1: Macromolecular Crystallography beamline at the Australian Synchrotron, and processed using Blu-Ice, using a Bruker X8 APEX II, and processed using the SAINT program, and using a Rigaku SynergyS diffractometer, and processed with CrysAlisPro.55 software suite.

Software/equipment used to manipulate/analyse the data: NMR data were analysed using MestReNova 14.1.2 (saved as .mnova files) Infrared data were analysed using OMNIC 9 (saved as .SPA files) X-ray crystal data were analysed using Olex2.1.5 (raw data and .cif, .hkl and .res files)

Created: 2023-01-06

Data time period: 04 02 2019 to 05 08 2022

This dataset is part of a larger collection

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3.86528,43.63476

3.865283,43.634758

3.86853,43.62073

3.86853,43.620734

146.75958,-19.32699

146.759579,-19.326986

145.14266,-37.91398

145.142658,-37.913983

dcmiPoint: east=3.865283; north=43.634758; projection=WGS84

dcmiPoint: east=3.86853; north=43.620734; projection=WGS84

dcmiPoint: east=146.759579; north=-19.326986; projection=WGS84

dcmiPoint: east=145.142658; north=-37.913983; projection=WGS84

Subjects
NMR spectra | biphenolate | crystallography | cyclopentadienyl | infrared spectra | rare earth elements |

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Identifiers
  • Local : https://research.jcu.edu.au/data/published/0ed87960309d11ed907d2d60f024bc99
  • DOI : 10.25903/8bpq-z933
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