Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor"

Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor"

Data to accompany the article "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor". This dataset contains data from the computational modelling carried out as part of this study, including optimised structures and simulated optical-absorption spectra.

Subjects:
Atomic and molecular physics
Chemical measurement
Chemical synthesis
Materials sciences
Tools, technologies and methods

Cite this dataset as:
Skelton, J., 2017. Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor". University of Bath. https://doi.org/10.15125/BATH-00440.

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Data

Form-I.tar.gz
application/x-gzip (1MB)
Creative Commons: Attribution 4.0

Form-II.tar.gz
application/x-gzip (1MB)
Creative Commons: Attribution 4.0

Form-III.tar.gz
application/x-gzip (1MB)
Creative Commons: Attribution 4.0

MolecularModels.tar.gz
application/x-gzip (8kB)
Creative Commons: Attribution 4.0

Creators

Contributors

Mathew Bryant
Data Collector
University of Bath; Cambridge Crystallography Data Centre

Lauren Hatcher
Project Member
University of Bath

Clare Stubbs
Project Member
University of Bath

Elena Madrid
Project Member
University of Bath

Anuradha R. Pallipurath
Project Member
University of Bath

Christopher Woodall
Project Member
University of Bath

Jeppe Christensen
Project Member
Research Complex at Harwell

Sara Fuertes
Project Member
University of Bath

Tom Robinson
Project Member
University of Bath

Christine Beavers
Project Member
Advanced Light Source

Simon J Teat
Project Member
Lawrence Berkeley National Laboratory; Advanced Light Source

Mark Warren
Project Member
Diamond Light Source

Fabienne Pradaux-Caggiano
Project Member
University of Bath

Aron Walsh
Project Member
University of Bath

Frank Marken
Project Member
University of Bath

David Carbery
Project Member
University of Bath

Stephen Parker
Project Member
University of Bath

Neil B. Mckeown
Project Member
University of Edinburgh

Richard Malpass-evans
Project Member
University of Edinburgh

Mariolino Carta
Project Member
University of Edinburgh

Paul Raithby
Project Leader
University of Bath

University of Bath
Rights Holder

Documentation Files

README.rtf
text/rtf (137kB)
Creative Commons: Attribution 4.0

Funders

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly
EP/K004956/1

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Dynamic Structural Science at the RC@H
EP/I01974X/1

Seventh Framework Programme (FP7)
https://doi.org/10.13039/501100004963

Marie Curie Fellowship - New Switchable Organometallic Oligomers and Polymers
252883

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Materials Chemistry High End Computing Consortium
EP/L000202/1

Partnership for Advanced Computing in Europe AISBL (PRACE)
https://doi.org/10.13039/501100001943

IsoSwitch
13DECI0317/IsoSwitch

Basic Energy Sciences (BES)
https://doi.org/10.13039/100006151

Lawrence Berkeley National Laboratory (LBNL)
DE-AC02-05CH11231

Publication details

Publication date: 27 November 2017
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-00440

URL for this record: https://researchdata.bath.ac.uk/id/eprint/440

Related articles

Bryant, M. J., Skelton, J. M., Hatcher, L. E., Stubbs, C., Madrid, E., Pallipurath, A. R., Thomas, L. H., Woodall, C. H., Christensen, J., Fuertes, S., Robinson, T. P., Beavers, C. M., Teat, S. J., Warren, M. R., Pradaux-Caggiano, F., Walsh, A., Marken, F., Carbery, D. R., Parker, S. C., McKeown, N. B., Malpass-Evans, R., Carta, M. and Raithby, P. R., 2017. A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor. Nature Communications, 8(1). Available from: https://doi.org/10.1038/s41467-017-01941-2.

Contact information

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

Contact person: Jonathan Skelton

Departments:

Faculty of Science
Chemistry