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Preiß J, Herrmann-Westendorf F, Ngo TH, et al. Absorption and Fluorescence Features of an Amphiphilic meso-Pyrimidinylcorrole: Experimental Study and Quantum Chemical Calculations. J Phys Chem A. 2017;121(45):8614-8624doi: 10.1021/acs.jpca.7b08910.
Preiß, J., Herrmann-Westendorf, F., Ngo, T. H., Martínez, T., Dietzek, B., Hill, J. P., Ariga, K., Kruk, M. M., Maes, W., & Presselt, M. (2017). Absorption and Fluorescence Features of an Amphiphilic meso-Pyrimidinylcorrole: Experimental Study and Quantum Chemical Calculations. The journal of physical chemistry. A, 121(45), 8614-8624. https://doi.org/10.1021/acs.jpca.7b08910
Preiß, Julia, et al. "Absorption and Fluorescence Features of an Amphiphilic meso-Pyrimidinylcorrole: Experimental Study and Quantum Chemical Calculations." The journal of physical chemistry. A vol. 121,45 (2017): 8614-8624. doi: https://doi.org/10.1021/acs.jpca.7b08910
Preiß J, Herrmann-Westendorf F, Ngo TH, Martínez T, Dietzek B, Hill JP, Ariga K, Kruk MM, Maes W, Presselt M. Absorption and Fluorescence Features of an Amphiphilic meso-Pyrimidinylcorrole: Experimental Study and Quantum Chemical Calculations. J Phys Chem A. 2017 Nov 16;121(45):8614-8624. doi: 10.1021/acs.jpca.7b08910. Epub 2017 Nov 08. PMID: 29068684.
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J Phys Chem A. 2017 Nov 16;121(45):8614-8624. doi: 10.1021/acs.jpca.7b08910. Epub 2017 Nov 08.

Absorption and Fluorescence Features of an Amphiphilic meso-Pyrimidinylcorrole: Experimental Study and Quantum Chemical Calculations.

The journal of physical chemistry. A

Julia Preiß, Felix Herrmann-Westendorf, Thien H Ngo, Todd Martínez, Benjamin Dietzek, Jonathan P Hill, Katsuhiko Ariga, Mikalai M Kruk, Wouter Maes, Martin Presselt

Affiliations

  1. Institute of Physical Chemistry, Friedrich Schiller University Jena , Helmholtzweg 4, 07743 Jena, Germany.
  2. Leibniz Institute of Photonic Technology (IPHT) , Albert-Einstein-Str. 9, 07745 Jena, Germany.
  3. International Center for Young Scientists (ICYS), National Institute for Materials Science , Namiki 1-1, Tsukuba, Ibaraki 305-0044, Japan.
  4. WPI Center for Materials Nanoarchitectonics, National Institute for Materials Science , Namiki 1-1, Tsukuba, Ibaraki 305-0044, Japan.
  5. SLAC National Accelerator Laboratory , Menlo Park, California 94309, United States.
  6. Department of Chemistry and PULSE Institute, Stanford University , Stanford, California 94305, United States.
  7. Center for Energy and Environmental Chemistry Jena (CEEC Jena) , 07743 Jena, Germany.
  8. Belarusian State Technological University , Physics Department, Sverdlova str. 13a, Minsk 220006, Belarus.
  9. Design & Synthesis of Organic Semiconductors (DSOS), UHasselt - Hasselt University, Institute for Materials Research (IMO-IMOMEC) , Agoralaan, 3590 Diepenbeek, Belgium.
  10. Sciclus GmbH Co. KG , Moritz-von-Rohr-Straße 1a, 07745 Jena, Germany.

PMID: 29068684 DOI: 10.1021/acs.jpca.7b08910

Abstract

Corroles are emerging as an important class of macrocycles with numerous applications because of their peculiar photophysical and metal chelating properties. meso-Pyrimidinylcorroles are easily deprotonated in certain solvents, which changes their absorption and emission spectra as well as their accessible supramolecular structures. To enable control over the formation of supramolecular structures, the dominant corrole species, i.e., the deprotonated form or one of the two NH-tautomers, needs to be identified. Therefore, we focus in the present article on the determination of the UV-vis spectroscopic properties of the free-base NH-tautomers and the deprotonated form of a new amphiphilic meso-pyrimidinylcorrole that can assemble to supramolecular structures at heterointerfaces as utilized in the Langmuir-Blodgett and liquid-liquid interface precipitation techniques. After quantification of the polarities of the free-base NH-tautomers and the deprotonated form by means of quantum chemically derived electrostatic potential distributions at the corroles' van der Waals surfaces, the preferential stabilization of (some of) the considered species in solvents of different polarity is identified by means of absorption spectroscopy. For the solutions with complex mixtures of species, we applied fluorescence excitation spectroscopy to estimate the relative weights of the individual corrole species. This technique might also be applied to identify dominating species in molecularly thin films directly on the subphase' surface of Langmuir-Blodgett troughs. Supported by quantum chemical calculations we were able to differentiate between the spectral signatures of the individual NH-tautomers by means of fluorescence excitation spectroscopy.

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