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Title: Absorption and Fluorescence Features of an Amphiphilic meso-Pyrimidinylcorrole: Experimental Study and Quantum Chemical Calculations
Authors: Preiss, Julia
Herrmann-Westendorf, Felix
Ngo, Thien H.
Martinez, Todd
Dietzek, Benjamin
Hill, Jonathan P.
Ariga, Katsuhiko
Kruk, Mikalai M.
MAES, Wouter 
Presselt, Martin
Issue Date: 2017
Source: JOURNAL OF PHYSICAL CHEMISTRY A, 121(45), p. 8614-8624
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.
Notes: [Preiss, Julia; Herrmann-Westendorf, Felix; Dietzek, Benjamin; Presselt, Martin] Friedrich Schiller Univ Jena, Inst Phys Chem, Helmholtzweg 4, D-07743 Jena, Germany. [Preiss, Julia; Herrmann-Westendorf, Felix; Dietzek, Benjamin; Presselt, Martin] Leibniz Inst Photon Technol IPHT, Albert Einstein Str 9, D-07745 Jena, Germany. [Ngo, Thien H.] Natl Inst Mat Sci, ICYS, Namiki 1-1, Tsukuba, Ibaraki 3050044, Japan. [Ngo, Thien H.; Hill, Jonathan P.; Ariga, Katsuhiko] Natl Inst Mat Sci, WPI Ctr Mat Nanoarchitecton, Namiki 1-1, Tsukuba, Ibaraki 3050044, Japan. [Martinez, Todd] SLAC Natl Accelerator Lab, Menlo Pk, CA 94309 USA. [Martinez, Todd] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Martinez, Todd] Stanford Univ, PULSE Inst, Stanford, CA 94305 USA. [Dietzek, Benjamin; Presselt, Martin] Ctr Energy & Environm Chem Jena CEEC Jena, D-07743 Jena, Germany. [Kruk, Mikalai M.] Belarusian State Technol Univ, Phys Dept, Sverdlova Str 13a, Minsk 220006, Byelarus. [Maes, Wouter] UHasselt Hasselt Univ, Inst Mat Res, IMO IMOMEC, DSOS, Agoralaan, B-3590 Diepenbeek, Belgium. [Presselt, Martin] Sciclus GmbH Co KG, Moritz von Rohr Str 1a, D-07745 Jena, Germany.
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ISSN: 1089-5639
e-ISSN: 1520-5215
DOI: 10.1021/acs.jpca.7b08910
ISI #: 000416203500008
Rights: © 2017 American Chemical Society
Category: A1
Type: Journal Contribution
Validations: ecoom 2018
Appears in Collections:Research publications

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