Associate Professor Jo Lane
Deputy Dean of Science
Qualifications: BSc(Hons) Otago, PhD Otago
- Farahani, Sara (2019). Theoretical study of electronic absorption spectra and photodissociation dynamics of atmospherically relevant molecules.
- Buckley, Nathaniel (in progress).
- Russell, Ash (in progress).
- Reason, Daniel (2018). Effects of copper toxicity on recruitment of Undaria pinnitifida.
- Atmospheric chemistry: Weakly-bound complexes, photodissociation mechanisms; gas-phase reaction kinetics; simulating vibrational and electronic spectra; nitrous oxide (N2O) chemistry; sulfur chemistry; aerosol formation.
- Non-covalent interactions: Theory development for quantifying the strength of non-covalent interactions; benchmark structures and interaction energies.
- Inorganic and materials chemistry: Gas separation using nanoporous materials e.g. metal organic framework (MOF) materials; crystal engineering; beryllium chemistry; structural characterisation; simulating NMR and IR spectra.
- Biological chemistry and bioactive molecules: Separation chemistry for medicinal cannabis products; mānuka honey chemistry; characterisation of marine bioactives; modified nucleobase base pairs (DNA/RNA).
My research group makes extensive use of the New Zealand eScience Infrastructure (NeSI) supercomputers. We use a broad range of computational chemistry programmes, including Q-Chem, MOLPRO, Gaussian, Newton-X, CFOUR, Orca, TURBOMOLE, CPMD, AMBER, CHARMM, NAMD, AutoDock Vina, GOLD. We have also developed our own software for characterizing non-covalent interactions, which is known as Bonder.
New Masters and PhD students are always welcome. Eligible students can apply for scholarships here.
Raymond, O., Henderson, W., Lane, J. R., Brothers, P. J., & Plieger, P. G. (2020). An electrospray ionization mass spectrometric study of beryllium chloride solutions and complexes with crown ether and cryptand macrocyclic ligands. Journal of Coordination Chemistry, 16 pages. doi:10.1080/00958972.2020.1718664
Lane, J. R., & Saunders, G. C. (2020). Theoretical study of the structures of 4-(2,3,5,6-tetrafluoropyridyl)diphenylphosphine oxide and tris(pentafluorophenyl)phosphine oxide: Why does the crystal structure of (tetrafluoropyridyl)diphenylphosphine oxide have two different P=O bond lengths?. Molecules (Basel, Switzerland), 25(12), 11 pages. doi:10.3390/molecules25122778
Ekowo, L. C., Eze, S. I., Ezeorah, J. C., Groutso, T., Atiga, S., Lane, J. R., . . . Okparaeke, O. C. (2020). Synthesis, structure, Hirshfeld surface, DFT and in silico studies of 4-[(E)-(2, 5-dimethoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (DMAP) and its metal complexes. Journal of Molecular Structure, 1210. doi:10.1016/j.molstruc.2020.127994
Raymond, O., Bühl, M., Lane, J. R., Henderson, W., Brothers, P. J., & Plieger, P. G. (2020). Ab initio molecular dynamics investigation of beryllium complexes. Inorganic Chemistry, 59(4), 2413-2425. doi:10.1021/acs.inorgchem.9b03309
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Contact DetailsEmail: [email protected]
Phone: +64 7 837 9391