MOLECULAR MECHANICS CALCULATION AND SCANNING TUNNELING MICROSCOPIC RESEARCH OF POLYANILINE DOPED WITH PERCHLORATE

On the basis of the molecular mechanics method, using a minimized conf ormational strain energy calculation, several models have been propose d for chains with six repeat units of aniline. First, a model of a sin gle isolated polyaniline chain is set up. Second, according to the int eraction between the two adjacent polyaniline chains, a monolayer film model of parallel chains is presented. Third, a model of double layer s of polyaniline chains is presented based on the interaction among th ree chains located in the different layers. Polyaniline film doped wit h perchlorate was investigated by a scanning tunneling microscope (STM ). STM data are basically in agreement with the above molecular mechan ics calculated models.