Data for "The Impact of the Alkyne Substitution Pattern and Metallation on the Photo-isomerization of Azobenzene-based Platinum(II) Di-ynes and Poly-ynes"
Data from the computational modelling described in the article "The Impact of the Alkyne Substitution Pattern and Metallation on the Photo-isomerization of Azobenzene-based Platinum(II) Di-ynes and Poly-ynes". Includes optimised molecular structures, vibrational frequencies, electronic excitation level, simulated infrared (IR) and absorption spectra, and assignments of the electronic transitions.
Cite this dataset as:
Al-Balushi, R.,
Skelton, J.,
2016.
Data for "The Impact of the Alkyne Substitution Pattern and Metallation on the Photo-isomerization of Azobenzene-based Platinum(II) Di-ynes and Poly-ynes".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00287.
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cis-1b.tar.gz
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cis-2b.tar.gz
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cis-M1.tar.gz
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cis-M2.tar.gz
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trans-1b.tar.gz
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trans-2b.tar.gz
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trans-M1.tar.gz
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trans-M2.tar.gz
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Contributors
Ashanul Haque
Project Member
Sultan Qaboos University
Jayapal Maharaja
Project Member
Sultan Qaboos University
Mohammed K Al-Suti
Project Member
Sultan Qaboos University
John Husband
Project Member
Sultan Qaboos University
Muhammed S. Khan
Project Leader
Sultan Qaboos University
Kieran Molloy
Project Member
University of Bath
Paul Raithby
Project Leader
University of Bath
University of Bath
Rights Holder
Documentation
Methodology link:
Al-Balushi, R. A., Haque, A., Jayapal, M., Al-Suti, M. K., Husband, J., Khan, M. S., Skelton, J. M., Molloy, K. C., and Raithby, P. R., 2016. Impact of the Alkyne Substitution Pattern and Metalation on the Photoisomerization of Azobenzene-Based Platinum(II) Diynes and Polyynes. Inorganic Chemistry, 55(21), 10955-10967. Available from: https://doi.org/10.1021/acs.inorgchem.6b01509.
Documentation Files
README.rtf
text/rtf (71kB)
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
Publication details
Publication date: 2016
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00287
URL for this record: https://researchdata.bath.ac.uk/id/eprint/287
Related papers and books
Al-Balushi, R. A., Haque, A., Jayapal, M., Al-Suti, M. K., Husband, J., Khan, M. S., Skelton, J. M., Molloy, K. C., and Raithby, P. R., 2016. Impact of the Alkyne Substitution Pattern and Metalation on the Photoisomerization of Azobenzene-Based Platinum(II) Diynes and Polyynes. Inorganic Chemistry, 55(21), 10955-10967. Available from: https://doi.org/10.1021/acs.inorgchem.6b01509.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Rayya A. Al-Balushi
Faculty of Science
Chemistry