Influence of Hydrogen Bonds and Nonspecific Interactions on the Spectral and Photophysical Properties of the Excited Singlet States of 4-Aminophthalimide in Amine Solution

✍ Scribed by Prof. Andrzej Maciejewski; Dr. Ewa Krystkowiak; Prof. Jacek Koput; Dr. Krzysztof Dobek

• Publisher: John Wiley and Sons
• Year: 2010
• Tongue: English
• Weight: 686 KB
• Volume: 12
• Category: Article
• ISSN: 1439-4235
• DOI: 10.1002/cphc.201000546

✦ Synopsis

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 S~0~‐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.