Abstract:Two isomeric 4-methylthiophenylethynyl substituted 1,4,5,8-naphthalene diimide (1,4,5,8-NDI) and 1,2,5,6-naphthalene diimide (1,2,5,6-NDI) derivatives 1 and 2 were designed and synthesized. The physicochemical properties of 1 and 2 were studied by means of UV-vis spectra, electrochemical measurements and DFT calculations. The structural differences between 1 and 2 led to their different physicochemical properties and single-molecule device performance. Compound 1 based on 1,4,5,8-NDI has lower HOMO/LUMO energy… Show more
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