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

Authors

Carmelo E. Briones ⋅ PH Institute of Chemistry, University of the Philippines Los Baños
Angelica E. Orais ⋅ PH Institute of Chemistry, University of the Philippines Los Baños
Crisita Carmen H. Atienza ⋅ PH Institute of Chemistry, University of the Philippines Los Baños
Ernesto J. del Rosario ⋅ PH Institute of Chemistry, University of the Philippines Los Baños
Michelle V. Martin ⋅ 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 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).

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Issue

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

Sustaining the gains of physics
25-27 October 2006, Ateneo de Davao University, Davao City

Article ID

SPP-2006-2B-04

Section

Materials Science

Published

2006-10-25

How to Cite

[1]

CE Briones, AE Orais, CCH Atienza, EJ del Rosario, MV Martin, and MAC Sotto, Effect of methyl substituents on the electrical conductivity and computed molecular properties of chlorine-doped polyaniline, Proceedings of the Samahang Pisika ng Pilipinas 24, SPP-2006-2B-04 (2006). URL: https://proceedings.spp-online.org/article/view/SPP-2006-2B-04.