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Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations
N‐Heteropolycycles are attractive as materials in organic electronic devices. However, a detailed understanding of the low‐energy electronic excitation characteristics of these species is still lacking. In this work, the matrix isolation technique is applied to obtain high‐resolution absorbance spec...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6899788/ https://www.ncbi.nlm.nih.gov/pubmed/31482610 http://dx.doi.org/10.1002/chem.201903371 |
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author | Thusek, Jean Hoffmann, Marvin Hübner, Olaf Tverskoy, Olena Bunz, Uwe H. F. Dreuw, Andreas Himmel, Hans‐Jörg |
author_facet | Thusek, Jean Hoffmann, Marvin Hübner, Olaf Tverskoy, Olena Bunz, Uwe H. F. Dreuw, Andreas Himmel, Hans‐Jörg |
author_sort | Thusek, Jean |
collection | PubMed |
description | N‐Heteropolycycles are attractive as materials in organic electronic devices. However, a detailed understanding of the low‐energy electronic excitation characteristics of these species is still lacking. In this work, the matrix isolation technique is applied to obtain high‐resolution absorbance spectra for a series of tetracene and core‐substituted N‐analogues. The experimental electronic excitation spectra obtained for matrix‐isolated molecules are then analysed with the help of quantum‐chemical calculations. Additional lower energy excitation bands in the spectrum of the core‐substituted N‐derivatives of tetracene could be explained in terms of intensity borrowing from dipole‐forbidden transitions due to Herzberg–Teller vibronic coupling. In the case of tetracene, evidence for the additional formation of London dimers (J aggregates) is found at higher tetracene concentrations in the matrix. |
format | Online Article Text |
id | pubmed-6899788 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | John Wiley and Sons Inc. |
record_format | MEDLINE/PubMed |
spelling | pubmed-68997882019-12-19 Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations Thusek, Jean Hoffmann, Marvin Hübner, Olaf Tverskoy, Olena Bunz, Uwe H. F. Dreuw, Andreas Himmel, Hans‐Jörg Chemistry Full Papers N‐Heteropolycycles are attractive as materials in organic electronic devices. However, a detailed understanding of the low‐energy electronic excitation characteristics of these species is still lacking. In this work, the matrix isolation technique is applied to obtain high‐resolution absorbance spectra for a series of tetracene and core‐substituted N‐analogues. The experimental electronic excitation spectra obtained for matrix‐isolated molecules are then analysed with the help of quantum‐chemical calculations. Additional lower energy excitation bands in the spectrum of the core‐substituted N‐derivatives of tetracene could be explained in terms of intensity borrowing from dipole‐forbidden transitions due to Herzberg–Teller vibronic coupling. In the case of tetracene, evidence for the additional formation of London dimers (J aggregates) is found at higher tetracene concentrations in the matrix. John Wiley and Sons Inc. 2019-10-30 2019-11-27 /pmc/articles/PMC6899788/ /pubmed/31482610 http://dx.doi.org/10.1002/chem.201903371 Text en © 2019 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Full Papers Thusek, Jean Hoffmann, Marvin Hübner, Olaf Tverskoy, Olena Bunz, Uwe H. F. Dreuw, Andreas Himmel, Hans‐Jörg Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations |
title | Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations |
title_full | Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations |
title_fullStr | Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations |
title_full_unstemmed | Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations |
title_short | Low‐Energy Electronic Excitations of N‐Substituted Heteroacene Molecules: Matrix Isolation Spectroscopy in Concert with Quantum‐Chemical Calculations |
title_sort | low‐energy electronic excitations of n‐substituted heteroacene molecules: matrix isolation spectroscopy in concert with quantum‐chemical calculations |
topic | Full Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6899788/ https://www.ncbi.nlm.nih.gov/pubmed/31482610 http://dx.doi.org/10.1002/chem.201903371 |
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