Supramolecular Approach to Tuning the Photophysical Properties of Quadrupolar Squaraines.

ABSTRACT: In the present study, the influence of the hydrogen bonding for the one- and two-photon absorption of the prototypical squaraine dye is investigated with quantum chemistry tools. The central squaraine unit is bound by strong hydrogen bonds with 4-substituted N,N'-diphenylurea and, alternatively, N,N'-diphenylthiourea molecules, which affects to a high extend the properties of the squaraine electron accepting moiety, thus shifting its maximum absorption wavelength and enhancing the TPA cross section. The replacement of oxygen by sulfur atoms in the squaraine central ring, known to affect its photophysical behavior, is considered here as the way of modifying the strength and nature of the intermolecular contacts. Additionally, the influence of the oxygen-by-sulfur replacement is also conside

SUBMITTER: Kaczmarek-Kedziera A 

PROVIDER: S-EPMC8766669 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature