title: Influence of hydrogen bonds and nonspecific interactions on the spectral and photophysical properties of the excited singlet states of 4-aminophthalimide in amine solution.
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.
authors.affiliation: Department of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland. iwonam@amu.edu.pl
authors.forename: Andrzej
authors.initials: A
authors.lastname: Maciejewski
authors.forename: Ewa
authors.initials: E
authors.lastname: Krystkowiak
authors.forename: Jacek
authors.initials: J
authors.lastname: Koput
authors.forename: Krzysztof
authors.initials: K
authors.lastname: Dobek