Miss Tong Liu
Miss Tong LiuResearch Student
- School of Physics and Astronomy
Queen Mary, University of London
327 Mile End Road, London, E1 4NS
Telephone: 0207 882 6961
My research interest is the synthesis, purification and molecular structure identification for 18 isomers of bisPCBM (from the trivial name bis-phenyl-C62-butyric acid methyl ester; systematic name: dimethyl 4,4-dimethyl[61,62-diphenyl,3H,3H-dicyclopropa-(C60-Ih)[5,6]fullerene-61,62-diyl]dibutanoate, one of the most promising organic photovoltaic device acceptor materials.
The identification of 18 purified isomers will be attempted in two ways. The first way involves molecular spectroscopy coupled with molecular modelling. Spectroscopy techniques includes infra-red (IR) and Raman vibrational spectroscopy, 1H and 13C Nuclear Magnetic Resonance spectroscopy (NMR), ultraviolet and visible absorption spectroscopy (UV-vis), cyclic voltammetry (CV) and ultra violet photoelectron spectroscopy (UPES). These techniques have proved useful for fullerenes in the past. The simulation of 18 structural isomers modelling is primarily through density function theory. Structural assignments will be based on the results of quantum chemical simulations of the spectra, which will be referenced across all the techniques. The second way for molecular structure identification involves x-ray diffraction (XRD) methods. We shall first attempt to produce single crystals of each of the isomers, and if this proves problematic we shall revert to recording diffraction patterns of powders.