Theoretical study of chloropyrroles as monomers for new conductive polymers.


Electronic, structural, electrochemical, and spectroscopic properties of all ground-state neutral and singly ionized chlorine-substituted pyrroles and hexa(3-chloropyrrole) oligomer are studied using the density functional theory B3LYP method with the 6-31G(d,p) basis set. The effects of the number and position of the substituents on the electrochemical… (More)


Figures and Tables

Sorry, we couldn't extract any figures or tables for this paper.

Slides referencing similar topics