Abstract
A two-site Hubbard model has been utilized for the analysis of the intense electron-vibrational bands in the i.r. spectra of organic charge-transfer (CT) salts with dimerized structures. It is shown that intermolecular charge oscillations in totally symmetric anti-phase vibrations are accompanied by a decrease of the energy of the highest occupied two-electron state of the dimer. This effect is responsible for frequency shifts of the electron-vibrational bands compared with relevant Raman active modes and can be described by dimensionless coupling constants. The absorption coefficient for the bands was found to be proportional to the frequency shift. Calculated values are in agreement with the experimental data on BEDT-TTF based monovalent CT complexes.
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.
