Structure of poly-(1,5-diaminonaphtalene) (1,5-DAN). A theoretical approach

The polymer of 1,5-diaminonaphtalene (1,5-DAN) was studied in several ways but there are still many doubts about its exact molecular structure and associated behaviour. We carried out a theoretical simulation of different proposed structures in order to elucidate the correct one. We obtained interesting results that showed some characteristics of the macroscopic behaviour.