Crystal Growth of new charge-transfer salts based on \(\pi\)-conjugated molecules

• Published in: arXiv.org 2016-05
• Main Authors: Morherr, Antonia, Witt, Sebastian, Chernenkaya, Alisa, Jan-Peter Bäcker, Schönhense, Gerd, Bolte, Michael, Krellner, Cornelius
• Format: Article
• Language: English
• Subjects: Acceptor materials; Charge distribution; Charge transfer; Crystal growth; Crystal structure; Donor materials; Fluorination; Infrared analysis; Optimization; Phenanthrene; Single crystals; Tetracyanoquinodimethane; X-ray diffraction
• ISSN: 2331-8422
• DOI: 10.48550/arxiv.1605.07482

New charge transfer crystals of \(\pi\)-conjugated, aromatic molecules (phenanthrene and picene) as donors were obtained by physical vapor transport. The melting behavior, optimization of crystal growth and the crystal structure is reported for charge transfer salts with (fluorinated) tetracyanoquinodimethane (TCNQ-F\(_x\), x=0, 2, 4), which was used as acceptor material. The crystal structures were determined by single-crystal X-ray diffraction. Growth conditions for different vapor pressures in closed ampules were applied and the effect of these starting conditions for crystal size and quality is reported. The process of charge transfer was investigated by geometrical analysis of the crystal structure and by infrared spectroscopy on single crystals. With these three different acceptor strengths and the two sets of donor materials, it is possible to investigate the distribution of the charge transfer systematically. This helps to understand the charge transfer process in this class of materials with \(\pi\)-conjugated donor molecules.