Effect of inorganic acid dopants on selected molecular properties affecting electrical conductivity of poly (2,5-xylidine)

Authors

Pearly Anne E. Constantino ⋅ PH Institute of Chemistry, University of the Philippines Los Baños
Maria Joanna T. Rojas ⋅ PH Institute of Chemistry, University of the Philippines Los Baños
Michelle V. Martin ⋅ PH Institute of Chemistry, University of the Philippines Los Baños
Ernesto J. del Rosario ⋅ PH Institute of Chemistry, University of the Philippines Los Baños
Meredith Anne C. Sotto ⋅ PH Institute of Mathematical Sciences and Physics, University of the Philippines Los Baños

Abstract

The Hyperchem software was used for the computational studies. The selected molecular properties affecting the electrical conductivity of PXy upon doping were determined with counterions supplied by HCl, HI, HNO₃ and HClO₄. Doping of PXy reduced the HOMO and LUMO energies and energy gap, and increased the conduction bandwidth, mean polarizability and total dipole moment. Doping increased the conductivity of the polymer. PXy-ES-I exhibited the highest conductivity for the doped states. Increasing the degree of polymerization of PXy was also studied.
For the experimental studies, synthesis by oxidative polymerization with acidification using inorganic acid dopants and ammonium peroxydisulfate as oxidant was done with the emeraldine base of PXy and the four emeraldine salt of PXy. Among the four doped polymers, PXy-ES-ClO₄ was found to be the most conductive. This was due to the difficulty of synthesizing PXy-ES-I.

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Issue

2006: Proceedings of the 24th Samahang Pisika ng Pilipinas National Physics Congress

Article ID

SPP-2006-PB-28

Section

Poster Session PB

Published

2006-10-25

How to Cite

[1]

PAE Constantino, MJT Rojas, MV Martin, EJ del Rosario, and MAC Sotto, Effect of inorganic acid dopants on selected molecular properties affecting electrical conductivity of poly (2,5-xylidine), Proceedings of the Samahang Pisika ng Pilipinas 24, SPP-2006-PB-28 (2006). URL: https://proceedings.spp-online.org/article/view/SPP-2006-PB-28.