Quantum-chemical analysis of various ways of the organization of polymers based on 3-alkyl pyrroles for gas sensors
Abstract
Quantum-chemical analysis of various ways of the organization of polymers based on 3-alkyl pyrroles for gas sensors
Polypyrrole is a perspective material for gas sensors. Property of polymeric chains can vary largely depending on their packing. Power characteristics are studied. Features of a structure and power tetramers thiophenes with methyl, ethyl, propyl substitutions in position 3 pyrroles a cycle are investigated. The most perspective and stable tetramers are revealed from the thermodynamic point. The estimation of laws of formation of a polymeric chain is spent. Influence of the assistant on stability tetramers is considered.
Keywords: Polypyrrole, quantum-chemical research, influence of alkyl substituents, tetramer, cycle, polymeric chain, power tetramers