Abstract
The electronic and vibrational properties of polyPCDA have been examined by means of ab initio calculations on oligomers performed as a function of the number of monomeric units and of the torsional angle τ between them. The vertical excitation energies S 0 → S 1 and the double and triple CC stretching frequencies of blue, red and bluish-green forms of the polyPCDA have been correlated to conformational structures with different torsional angles.
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
