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"

  • Rayya A. Al-balushi (Creator)
  • Ashanul Haque (Project Member)
  • Jayapal Maharaja (Project Member)
  • Mohammed K Al-Suti (Project Member)
  • John Husband (Project Member)
  • M Khan (Project Leader)
  • Jonathan Skelton (Creator)
  • Kieran Molloy (Project Member)
  • Paul Raithby (Project Leader)

Dataset

Description

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.
Date made available2016
PublisherUniversity of Bath

Cite this

Al-Balushi, R. A. (Creator), Haque, A. (Project Member), Maharaja, J. (Project Member), Al-Suti, M. K. (Project Member), Husband, J. (Project Member), Khan, M. S. (Project Leader), Skelton, J. (Creator), Molloy, K. (Project Member), Raithby, P. (Project Leader). (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. 10.15125/BATH-00287