Abstract

Ionization energies, attachment energies, and electrochemical reduction potentials of thiophene oligomers (n {le} 5) have been determined experimentally (ultraviolet photoelectron and electron transmission spectroscopies and cyclic voltammetry) and theoretically (ionization and attachment energies by MINDO/3). The geometrical parameters of the most stable conformation of 2,2{prime}-bithienyl have been computed at the ab initio STO-3G level with complete relaxation. A short extrapolation of the energy data to the polymer provided accurate and reliable values for important properties of (gas phase) polythiophene, namely, ionization energy (6.9 eV), valence bandwidth (3.2 eV), electron affinity (0.9-1.1 eV), HOMO-LUMO energy gap (5.9 eV), and {lambda}{sub max} (2.7 eV).

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.