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"


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". University of Bath. https://doi.org/10.15125/BATH-00287.


Dataset abstract

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.

Title: 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"
Subjects: Chemical measurement > Analytical Science
Chemical synthesis > Co-ordination Chemistry
Materials sciences > Materials Characterisation
Tools, technologies and methods > High Performance Computing
Tools, technologies and methods > Scattering & Spectroscopy
Departments: Faculty of Science > Chemistry
DOI: https://doi.org/10.15125/BATH-00287
URI: http://researchdata.bath.ac.uk/id/eprint/287
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