Rational design with input from DFT calculations and preparation of coordination polymer-based quantum magnets (B05)

• Subject Area: Organic Molecular Chemistry - Synthesis and Characterisation
• Term: from 2007 to 2019
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 31867626

Spin-dimer systems composed of closely-spaced pairs of spin-½ carrying entities are well-suited model systems for exploring critical quantum phenomena (e.g., Bose-Einstein condensation of magnons) under controlled conditions. We are using the self-assembly of organic molecular building blocks (as e.g. bis(imino and nitronyl nitroxide) radicals) for the rational development of such crystalline solid materials. The considered variations are now inclusion of further radical entities like verdazyls and tertbutyl nitroxides but also the covalent linkages of biradicals towards tetra- and polyradicals. The design and prediction of proper arrangement will be further augmented by DFT calculations.

• DFG Programme: CRC/Transregios
• Subproject of: TRR 49: Condensed Matter Systems with Variable Many-Body Interactions
• Applicant Institution: Goethe-Universität Frankfurt am Main
• Co-Applicant Institution: Max-Planck-Institut für Polymerforschung
• Project Heads: Professor Dr. Martin Baumgarten; Professor Dr. Matthias Wagner, until 6/2015