Influence of Hydrogen Bonds and Nonspecific Interactions on the Spectral and Photophysical Properties of the Excited Singlet States of 4‐Aminophthalimide in Amine Solution |
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| Authors: | Prof. Andrzej Maciejewski Dr. Ewa Krystkowiak Prof. Jacek Koput Dr. Krzysztof Dobek |
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| Affiliation: | 1. Department of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60‐780 Poznań (Poland), Fax: (+48)?61‐8658008;2. Department of Physics, Adam Mickiewicz University, Umultowska 85, 61‐614 Poznań (Poland);3. National Laboratory for Atomic, Molecular and Optical Physics, Faculty of Physics, Astronomy and Informatics, Nicolas Copernicus University, Grudzi?dzka 5/7, 87‐199 Toruń (Poland) |
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| Abstract: | ![]()
The hydrogen‐bond and nonspecific interaction energies for 4‐aminophthalimide (4‐AP), often used as a probe, in the ground electronic and excited singlet states are determined using ab initio computational methods. It is shown that the 4‐AP molecule can form three relatively strong hydrogen bonds with trimethylamine (TMA) and triethylamine (TEA), which leads to the formation of S0‐complexes between the solute and solvent molecules. Only two of the hydrogen bonds with the amine group of 4‐AP change significantly their energies upon excitation and deactivation. The theoretical results are necessary to explain the spectral and unusual photophysical properties of 4‐AP in amine solutions. |
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| Keywords: | 4‐aminophthalimide ab initio calculations hydrogen bonds photophysics spectroscopy |
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