Rational design of organic charge transfer compounds based on polyaromatic hydrocarbons and FnTCNQ

• Applicants: Dr. Torsten Hahn; Professor Dr. Martin Knupfer
• Subject Area: Theoretical Chemistry: Molecules, Materials, Surfaces ; Experimental Condensed Matter Physics
• Term: from 2016 to 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 317636429

• Final Report Year: 2022

Final Report Abstract

We have investigated various charge transfer systems that are based on a combination of organic molecules. We have successfully grown a number of new charge transfer organic crystals and we have determined their crystal structure. Using complementary methods, these crystals have also been thoroughly characterized in regard of the degree of charge transfer, the dominant inter-molecular interactions, and the optical and electronic properties. Moreover, a selection of interface photoemission studies revealed that the strong organic acceptor F 6TCNNQ enables full, ionic charge transfer at these interfaces, which indicated that this acceptor molecules should also be studied in the direction of novel charge transfer (bulk) compounds with potentially intriguing physical properties.

Publications

• Electronic properties of the charge transfer material MnPc/F4TCNQ, J. Chem. Phys. 145, 114702 (2016)
  F. Rückerl, B. Mahns, E. Dodbiba, V. Nikolis, M. Herzig, B. Büchner, M. Knupfer, T. Hahn and J. Kortus
  (See online at https://doi.org/10.1063/1.4962578)
• Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces, Beilstein J. Nanotechnology 8, 1601 (2017)
  F. Rückerl, D. Waas, B. Büchner, M. Knupfer, D.R.T. Zahn, F. Haidu, T. Hahn and J. Kortus
  (See online at https://doi.org/10.3762/bjnano.8.160)
• Electron transfer and unusual chemical transformation of F4-TCNQ in a reaction with Mn-phthalocyanine, European Journal of Inorganic Chemistry 2018, 3344 (2018)
  O. Kataeva, K. Metlushka, K. Ishvin, A. Kiiamov, V. Alfonsov, M. Khrisanforov, Y. Budnikova, O. Sinyashin, Y. Krupskaya, V. Kataev, B. Büchner and M. Knupfer
  (See online at https://doi.org/10.1002/ejic.201800641)
• Charge transfer at the interface between MnPc and F6TCNNQ, Physica Status Solidi B 256, 1800245 (2019)
  D. Waas, F. Rückerl and M. Knupfer
  (See online at https://doi.org/10.1002/pssb.201800245)
• Charge transfer complexes of linear acenes with a new acceptor perfluoroanthraquinone. The interplay of charge transfer and F···F interactions, Crystal Growth & Design 19, 5123 (2019)
  O. Kataeva, K. Ivshin, K. Metlushka, S. Latypov, K. Nikitina, D. Zakharychev, A. Laskin, V. Alfonsov, O. Sinyashin, E. Mgeladze, A. Jäger, Y. Krupskaya, B. Büchner, M. Knupfer
  (See online at https://doi.org/10.1021/acs.cgd.9b00486)
• Unusual donor-acceptor system MnIIPc-TCNQ/F4-TCNQ and the properties of the first mixed single crystals of the metal phthalocyanines with acceptor molecules, Dalton Transactions 48, 17252 (2019)
  O. Kataeva, K. Metlushka, K. Ivshin, K. Nikitina, V. Alfonsov, A. Vandyukov, M. Khrizanforov, Y. Budnikova, O. Sinyashin, Y. Krupskaya, V. Kataev, B. Büchner and M. Knupfer
  (See online at https://doi.org/10.1039/c9dt03642c)
• Charge Transfer Characteristics of F6TCNNQ - Gold Interface, Surface and Interface Analysis 52, 953 (2020)
  R. Kuhrt, M. Hantusch, M. Knupfer and B. Büchner
  (See online at https://doi.org/10.1002/sia.6794)
• Photoelectron spectroscopy on polycyclic hydrocarbon-F6TCNNQ interfaces, J. Phys. Chem. C 124, 2961 (2020)
  M. Hantusch, R. Kuhrt and M. Knupfer
  (See online at https://doi.org/10.1021/acs.jpcc.9b08409)
• Synthesis and Charge Transfer Characteristics of a Rutheniumacetylide Complex, RSC Advances 10, 43242 (2020)
  R. Kuhrt, P.-Y. Ho, M. Hantusch, F. Lisel, O. Blacque, M. Knupfer and B. Büchner
  (See online at https://doi.org/10.1039/d0ra08390a)
• Photoemission Study of Charge Transfer between ET (BEDT-TTF) and Acceptors F6TCNNQ and F2TCNQ, J. Phys. Chem. C 125, 18961 (2021)
  R. Kuhrt, M. Hantusch, B. Büchner and M. Knupfer
  (See online at https://doi.org/10.1021/acs.jpcc.1c05573)
• New charge transfer co-crystals of F2TCNQ with polycyclic aromatic hydrocarbons. Acceptor self-interactions and their contribution to supramolecular arrangement and charge transfer; Crystal Growth & Design 22, 751 (2022)
  O. Kataeva, K. Ivshin, K. Metlushka, K. Nikitina, V. Khrizanforova, Y. Budnikova, R. R. Fayzullin, S. Latypov, S. Schiemenz, M. Bretschneider, A. Popov, S. Avdoshenko, Y. Krupskaya, B. Büchner, M. Knupfer
  (See online at https://doi.org/10.1021/acs.cgd.1c01255)