Effect of methyl substituents on the electrical conductivity and computed molecular properties of chlorine-doped polyaniline

Authors

  • Carmelo E. Briones Institute of Chemistry, University of the Philippines Los Baños
  • Angelica E. Orais Institute of Chemistry, University of the Philippines Los Baños
  • Crisita Carmen H. Atienza Institute of Chemistry, University of the Philippines Los Baños
  • Ernesto J. del Rosario Institute of Chemistry, University of the Philippines Los Baños
  • Michelle V. Martin 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 HOMO-LUMO energy gap and bandwidth of HCl-doped polyaniline (PAni) and four methyl-substituted derivatives were computed and correlated with their electrical conductivity values. The PAni derivatives were poly(2-toluidine), poly(3-toluidine), poly(2,3-xylidine) and poly(2,5-xylidine). The computed α HOMO-LUMO energy gap for HCl-doped PAni and four methyl derivatives was found to correlate with electrical conductivity (linear regression coefficiect r = 0.77).

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

Materials Science

License

By submitting their manuscript to the Samahang Pisika ng Pilipinas (SPP) for consideration, the Authors warrant that their work is original, does not infringe on existing copyrights, and is not under active consideration for publication elsewhere.
Upon acceptance of their manuscript, the Authors further agree to grant SPP the non-exclusive, worldwide, and royalty-free rights to record, edit, copy, reproduce, publish, distribute, and use all or part of the manuscript for any purpose, in any media now existing or developed in the future, either individually or as part of a collection.
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 methyl substituents on the electrical conductivity and computed molecular properties of chlorine-doped polyaniline”, Proc. SPP, vol. 24, no. 1, pp. SPP–2006, Oct. 2006, Accessed: Mar. 25, 2026. [Online]. Available: https://proceedings.spp-online.org/article/view/SPP-2006-2B-04