Screening Nanographene-Mediated Inter(Porphyrin) Communication to Optimize Inter(Porphyrin–Fullerene) Forces
Haines P, Kaur R, Martin M, Minameyer M, Frühwald S, Bönisch S, Lungerich D, Hampel F, Görling A, Drewello T, Jux N, Guldi DM (2021)
Publication Type: Journal article
Publication year: 2021
Journal
Abstract
Multifunctional molecular materials comprising porphyrins and fullerenes have served as perfect prototypes to study key aspects of natural photosynthesis starting at light harvesting and energy transfer processes all the way to charge separation, charge shift, and charge recombination. Herein, hexa-peri-hexabenzocoronenes (HBCs) are explored, decorated with one, two, and six porphyrins at their peripheral positions, within the context of replicating key steps of photosynthesis. The major focus of the investigations is to screen inter(porphyrin) communications across the HBC platform as a function of the substitution pattern and to optimize the intermolecular forces with fullerenes. To this end, the ground- and excited-state features are investigated in the absence of C60 and C70 by employing an arsenal of spectroscopic methods. Further insights into inter(porphyrin) communications come from time-dependent density-functional theory (TDDFT) calculations. In the presence of C60 and C70, X-ray crystallography, steady-state and time-resolved spectroscopy, and mass spectrometry corroborate exceptionally strong inter(porphyrin–fullerene) interactions in the solid, liquid, and gas phases. The experiments are backed-up with DFT calculations of the geometrically optimized and energetically stable complex configuration.
Authors with CRIS profile
Philipp Haines
Lehrstuhl für Physikalische Chemie I
Ramandeep Kaur
Lehrstuhl für Physikalische Chemie I
Max Martin
Lehrstuhl für Organische Chemie II
Martin Minameyer
Lehrstuhl für Physikalische Chemie I
Stefan Frühwald
Lehrstuhl für Theoretische Chemie
Simon Bönisch
Lehrstuhl für Theoretische Chemie
Frank Hampel
Lehrstuhl für Organische Chemie I
Andreas Görling
Lehrstuhl für Theoretische Chemie
Thomas Drewello
Professur für Physikalische Chemie
Norbert Jux
Interdisziplinäres Zentrum für Molekulare Materialien
Dirk Michael Guldi
Lehrstuhl für Physikalische Chemie I
Involved external institutions
Korea, Republic of (KR)How to cite
APA:
Haines, P., Kaur, R., Martin, M., Minameyer, M., Frühwald, S., Bönisch, S.,... Guldi, D.M. (2021). Screening Nanographene-Mediated Inter(Porphyrin) Communication to Optimize Inter(Porphyrin–Fullerene) Forces. Advanced Energy Materials. https://doi.org/10.1002/aenm.202100158
MLA:
Haines, Philipp, et al. "Screening Nanographene-Mediated Inter(Porphyrin) Communication to Optimize Inter(Porphyrin–Fullerene) Forces." Advanced Energy Materials (2021).
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