My research explores spectroscopic and computational interrogation of the electronic and structural nature of molecules.
Using a number of spectroscopic techniques including Raman, we identified linker effects which turn off and on electronic communication in donor-acceptor dyes (Barnsley et. al., ChemPhotoChem 2017). Further methods of modulating these interactions have been studied (Larsen et. al., Eur. J. Org. Chem. 2017, Barnsley et. al., J. Phys. Chem. A. 2016). More recently, ‘dual-emission’ behaviours has been identified in these systems and show sensitivity to the surrounding environment (Barnsley et. al., J. Phys. Chem A. 2018). We have also applied Raman spectroscopy to parrot pigments and identified a unique solid state ‘frequency dispersion’ effect which had not previously been documented (Barnsley et. al., Royal Soc. Open Sci 2018). Our computational methods identified that conformational changes may tune the pigments optical properties, which could provide an explanation for this ‘frequency dispersion’ (Barnsley et. al. SciX 2016). Calculations have also been useful when investigating a number of systems such as ‘inorganic ‘cages’ (Preston et. al. J. Am. Chem. Soc. 2016), ‘molecular machines’ (Scottwell et. al. ChemComm 2017) and ‘ionophores’ (Lisak et. al. Synth. Met. 2016).
Employment:
2018 Research Associate (KCG Group)
Education:
2018 PhD Chemistry – University of Otago
2013 BSc. Chemistry (Honors) – University of Otago
Selected Publications:
1. Barnsley, J. E., Shillito, G. E., Mapley, J. I., Larsen, C. B., Lucas, N. T., & Gordon, K. C., Walking the Emission Tightrope: Spectral and Computational Analysis of Some Dual-Emitting Benzothiadiazole Donor-Acceptor Dyes, J Phys. Chem. A 2018
2. Barnsley, J. E., Wagner, P., Officer, D. L., Gordon, K. C., Aldehyde isomers of porphyrin: A spectroscopic and computational study, J. Mol. Struct. 2018, 1173, 665-670
3. Barnsley, J. E., Tay, E. J., Gordon, K. C., Thomas, D.B, Frequency dispersion reveals chromophore diversity and colour-tuning mechanism in parrot feathers, R. Soc. Open Sci. 2018, 5, 172010
4. Barnsley, J. E., Lomax, B. A., McLay, J. R. W., Larsen, C. B., Lucas, N. T., Gordon, K. C., Flicking the Switch on Donor‐Acceptor Interactions in Hexaazatrinaphthalene Dyes: A Spectroscopic and Computational Study, ChemPhotoChem 2017, 17, 2432–2440
5. Barnsley, J. E., Scottwell, S. Ø., Elliott, A. B. S., Gordon, K. C., Crowley, J. D., Structural, electronic and computational studies of heteroleptic Cu(I) complexes of 6,6′-dimesityl-2,2′-bipyridine with ferrocene-appended ethynyl-2,2′-bipyridine ligands, Inorg. Chem. 2016, 55, 16, 8184-8192
6. Barnsley, J. E., Shillito, G. E., Larsen, C. B., van der Salm, H., Wang, L. E., Lucas, N. T., Gordon, K. C., Benzo[c][1,2,5]thiadiazole Donor-Acceptor Dyes: A Synthetic, Spectroscopic and Computational Study, J. Phys. Chem. A 2016, 120, 11, 1853–1866
