HDR Student Publication Competition - Round 3, 2021

28 Sep 2021

Congratulations to CAI HDR student Ting Xiang Lim whose publication was selected as the winner of Round 3 of the CAI 2021 HDR publication competition.

Ting Xiang Lim, Gregory K. Pierens, Paul V. Bernhardt, Muneer Ahamed, David C. Reutens; "Synthesis, isolation and characterisation of fluorinated-benzimidazoisoquinoline regioisomers." Magnetic Resonance in Chemistry, (2021). DOI: 10.1002/mrc.5193

ABSTRACT

Diagram illustrating Mercury thermal ellipsoid plot of A (11F-BBQ·HCl) (50% probability ellipsoids shown)
Mercury thermal ellipsoid plot of A (11F-BBQ·HCl) (50% probability ellipsoids shown)

A pair of novel fluorinated-benzimidazoisoquinoline regioisomers was synthesised and isolated. Initial structural characterisation and identification employed 1D proton, 1D carbon, correlated spectroscopy (COSY), heteronuclear single quantum coherence (HSQC), and heteronuclear multiple bond correlation (HMBC) nuclear magnetic resonance spectroscopy and mass spectrometry. However, the fluorinated regioisomers could not be differentiated using nuclear magnetic resonance (NMR) alone. Density functional theory calculations and single-crystal X-ray diffraction experiments were used to completely characterise and identify the compounds.

FUNDING INFORMATION
This research was conducted by the Australian Research Council Training Centre for Innovation in Biomedical Imaging Technology (CIBIT) (project number IC170100035).

 

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