The results of x-ray fluorescence measurements of thiophenes @regioregular poly ~3-hexylthiophene ~P3HT! and a,v-dihexylquaterthiophene ~DHa4T!# and phtalocyanines @copper phtalocyanine ~CuPc! and copper hexadecafluorophtalocyanine (F16CuPc)# are presented. Experimental carbon, nitrogen, fluorine Ka and sulphur, copper L2,3 x-ray emission spectra are compared with ultraviolet photoemission spectroscopy spectra and deMon density-functional theory calculations of model molecules. We find that the carbon Ka emission is almost identical for P3HT and DHa4T. This indicates that the electronic structure of the p system is not affected by the presence of the side group. The ratio of emission intensities of the Cu L2 to Cu L3 intensities is found to be smaller by a factor of 2 for CuPc and F16CuPc than it is for pure metal. This demonstrates the strong covalency in phalocyanines.
Electronic structure of thiophenes and phthalocyanines
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SC-PR-ENDO-K-e045211.pdf
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