Analysis of vibronic coupling in a 4f molecular magnet with FIRMS

OpenMOLCAS and Gaussian output files, FIRMS data (simulated and experimental), and luminescence data.

Keywords:
Computational chemistry

Cite this dataset as:
Kragskow, J., Marbey, J., Buch, C., Nehrkorn, J., Ozerov, M., Piligkos, S., Hill, S., Chilton, N., 2022. Analysis of vibronic coupling in a 4f molecular magnet with FIRMS. University of Manchester. Available from: https://doi.org/10.48420/16698526.v1.

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Creators

Jon Kragskow
University of Manchester; University of Bath

Jonathan Marbey
National High Magnetic Field Laboratory

Christian Dirk Buch
University College Copenhagen

Joscha Nehrkorn
National High Magnetic Field Laboratory

Mykhaylo Ozerov
National High Magnetic Field Laboratory

Stergios Piligkos
University of Copenhagen

Stephen Hill
National High Magnetic Field Laboratory

Nicholas Chilton
University of Manchester

Documentation

Data collection method:

For details of the methodology, see the "Methods" section of the associated paper.

Funders

Basic Energy Sciences
https://doi.org/10.13039/100006151

A Route to Molecular Quantum Technologies Using Endohedral Metallofullerenes
DE-SC0020260

National Science Foundation
https://doi.org/10.13039/100000001

National High Magnetic Field Laboratory Renewal 2018-2022
DMR-1644779

European Research Council
https://doi.org/10.13039/501100000781

ContraVib – Chemical Control of Vibronic Coupling for Magnetic Materials
851504

Publication details

Publication date: 7 February 2022
by: University of Manchester

Version: 1

DOI: https://doi.org/10.48420/16698526.v1

URL for this record: https://researchdata.bath.ac.uk/id/eprint/1267

Related papers and books

Kragskow, J. G. C., Marbey, J., Buch, C. D., Nehrkorn, J., Ozerov, M., Piligkos, S., Hill, S., and Chilton, N. F., 2022. Analysis of vibronic coupling in a 4f molecular magnet with FIRMS. Nature Communications, 13(1). Available from: https://doi.org/10.1038/s41467-022-28352-2.

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Jon Kragskow

Departments:

Faculty of Science
Chemistry