Shape and location of multiple charge carriers in linear π-electron systems (pages 416–428)
Oleg S. Nychyporenko, Olga P. Melnyk, Olexandr O. Viniychuk, Tetiana M. Pinchuk-Rugal, Volodymyr A. Brusentsov, Elena L. Pavlenko, Oksana P. Dmytrenko, Nikolay P. Kulish and Olexiy D. Kachkovsky
Article first published online: 23 NOV 2013 | DOI: 10.1002/qua.24585
Organic conjugated molecules, used as molecular wires and semiconductor devices, can be used as model systems in the study of electron-transfer processes. Ionic defects in such chain-like molecules are notable for being localized within a distance of several atoms and thus behaving like solitary waves (known as solitons). This work investigates the nature of charge and bond length distributions in these solitonic waves on the injection of up to five charge carriers.