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

Authors

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

SPP 2006 Proceedings Cover

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Published

2006-10-25

Issue

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

Section

Poster Session PB

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All other associated economic and moral rights as granted by the Intellectual Property Code of the Philippines are maintained by the Authors.

How to Cite

[1]
“Effect of inorganic acid dopants on selected molecular properties affecting electrical conductivity of poly (2,5-xylidine)”, Proc. SPP, vol. 24, no. 1, p. SPP-2006-PB-28, Oct. 2006, Accessed: Mar. 31, 2026. [Online]. Available: https://proceedings.spp-online.org/article/view/SPP-2006-PB-28