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.
Cite this dataset as:
Skelton, J.,
2017.
Data for "A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00440.
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Data
Form-I.tar.gz
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Form-II.tar.gz
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Form-III.tar.gz
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MolecularModels.tar.gz
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Creators
Jonathan Skelton
University of Bath
Contributors
Mathew Bryant
Data Collector
University of Bath; Cambridge Crystallographic 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
Lynne Thomas
Project Member
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
https://doi.org/10.13039/501100000266
Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials
EP/K004956/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Dynamic Structural Science at the RC@H
EP/I01974X/1
Seventh Framework Programme
https://doi.org/10.13039/501100004963
Marie Curie Fellowship - New Switchable Organometallic Oligomers and Polymers
252883
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Materials Chemistry High End Computing Consortium
EP/L000202/1
Partnership for Advanced Computing in Europe
https://doi.org/10.13039/501100001943
IsoSwitch
13DECI0317/IsoSwitch
Basic Energy Sciences
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 papers and books
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
Faculty of Science
Chemistry
