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The aim of this paper was to reveal the relationship between the interaction energy of benzodifuranone dyes and dyeing performance indices such as dyeing temperature and colour fastness. Dimer models of benzene–benzene, benzodifuranone–benzene, and benzodifuranone–benzodifuranone configuration were set up, and geometry optimisation and interaction energy were calculated using a density functional theory ωB97XD, 6‐311G++ (d, p) basis set. The calculation results showed that the benzodifuranone molecule had better coplanarity. The molecular interaction energy of benzene–benzene, benzodifuranone–benzene, and benzodifuranone–benzodifuranone rings decreased at first, and then increased with growth in the distance between the rings, the lowest energy occurring at a distance of about 3.25–3.75 Å. The dispersion force affected the interaction energy of benzodifuranone–benzene rings most, while both dispersion force and electrostatic force influenced the interaction energy of benzodifuranone–benzodifuranone rings. These calculation and experimental results revealed that a greater energy was needed to destroy the dye–fibre and dye–dye interaction energy of benzodifuranone‐based disperse dyes.

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Polythiophene derivatives, poly(2,2′:5′,2″:5″,2″′:5″′,2″″-quinquethiophene) (P5T), poly (2,3,4,5-tetrathiopenyl-thiophene) (PX5T) and poly(1,3,5-tristhienyl-benzene) (P3TB), were prepared via the electropolymerization. The electrochromic properties of polythiophene derivative films were investigated. The results showed that P5T, PX5T and P3TB films exhibited reversible, clear colour change in liquid electrolyte on electrochemical doping and dedoping. Moreover, solid state electrochromic device, indium tin oxide (ITO)/polythiophene derivative films/conducting gel /ITO, were fabricated with polythiophene derivative films as the active electrochromic layer. The color change of polythiophene derivative films based on gel electrolyte on electrochemical doping and dedoping were similar with the color change based on liquid electrolyte.