1. Home
  2. Data Publication
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

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)
- Start
    Data Record Details
    Data record related to this publication 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
    Data Publication 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
  • 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)

    •
  • Other Descriptors
    • Descriptor
      This dataset contains NMR, IR, and crystallographic data files for the rare earth biphenolate, cyclopentadienyl, formamidinate, and pyrazolate species synthesised in the thesis.
      •
      Descriptor type Brief
    • Data type dataset
  • Keywords
    • NMR spectra
    • crystallography
    • infrared spectra
    • rare earth elements
    • biphenolate
    • cyclopentadienyl
  • Funding source
    • Australian Research Council
  • Research grant(s)/Scheme name(s)
    • - Discovery Project
    • Research themes
    Not aligned to a University theme
    FoR Codes (*)
    SEO Codes
- Specify coverage
    Specify spatial or temporal setting of the data
    Temporal (time) coverage
  • Start Date 2019/02/04
  • End Date 2022/08/05
    • Time Period
    Spatial (location) coverage
  • Locations
- Data
    Data Locations

    Type Location Notes
    The Data Manager is: Peter Junk
    College or Centre College of Science & Engineering
    Access conditions Conditional: Contact researchdata@jcu.edu.au to request access to this data.
  • Alternative access conditions
    • Data record size 5857 files: 4.25 GB
- Related resources
  • Related publications
      Name New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide
    • URL https://doi.org/10.1039/D1DT02513A
    • Notes
      • Name A new divalent organoeuropium(II) fluoride and serendipitous discovery of an alkoxide complex from pentaphenylcyclopentadiene precursors
    • URL https://doi.org/10.1071/CH21324
    • Notes Open Access
      • Name Lanthanoid Biphenolates as a Rich Source of Lanthanoid-Main Group Heterobimetallic Complexes
    • URL https://doi.org/10.1002/asia.202101328
    • Notes Open Access
      • Name Selective carbon-phosphorus bond cleavage: expanding the toolbox for accessing bulky divalent lanthanoid sandwich complexes
    • URL https://doi.org/10.1039/D2CC00698G
    • Notes
  • Related websites
      Name
    • URL
    • Notes
  • Related metadata (including standards, codebooks, vocabularies, thesauri, ontologies)
      Name
    • URL
    • Notes
  • Related data
      Name
    • URL
    • Notes
  • Related services
      Name
    • URL
    • Notes
- License
    Select or add a licence for the data
    The data will be licensed under CC BY 4.0: Attribution 4.0 International
  • Other Licence
    • Statement of rights in data 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.
  • Data owners
      James Cook University
- Citation
    Citation Shephard, Angus; Junk, Peter; Davies, Murray; Jaroschik, Florian; Deacon, Glen (2023): 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. https://doi.org/10.25903/8bpq-z933