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documentation archive 4450 disk0/00/00/02/87 2016-11-22 16:13:31 2024-07-18 12:31:37 2016-11-22 16:13:31 data_collection show Al-Balushi Rayya A. 0000-0002-5665-5175 Sultan Qaboos University TRUE Skelton Jonathan J.M.Skelton@bath.ac.uk 0000-0002-0395-1202 University of Bath FALSE ProjectMember Haque Ashanul a.haque@uoh.edu.sa 0000-0002-6780-632X Sultan Qaboos University ProjectMember Jayapal Maharaja 0000-0001-9176-2489 Sultan Qaboos University ProjectMember Al-Suti Mohammed K alsuti@squ.edu.om Sultan Qaboos University ProjectMember Husband John 0000-0002-1567-2999 Sultan Qaboos University ProjectLeader Khan Muhammad S 0000-0001-5606-6832 Sultan Qaboos University ProjectMember Molloy Kieran chskcm@bath.ac.uk 0000-0001-7346-7427 University of Bath ProjectLeader Raithby Paul P.R.Raithby@bath.ac.uk 0000-0002-2944-0662 University of Bath CG0010 CM0040 GE0030 KS0080 KS0160 dept_chem 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. 2016 University of Bath public RightsHolder University of Bath Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/K004956/1 Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials https://doi.org/10.1021/acs.inorgchem.6b01509 en 1 10.15125/BATH-00287 https://doi.org/10.1021/acs.inorgchem.6b01509 pub