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)
  • Jonathan Skelton (Creator)
  • Ashanul Haque (Project Member)
  • Jayapal Maharaja (Project Member)
  • Mohammed K Al-Suti (Project Member)
  • John Husband (Project Member)
  • M Khan (Project Leader)
  • 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

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