Tetrathiafulvalene-Polychlorotriphenylmethyl Dyads: Influence of Bridge and Open-Shell Characteristics on Linear and Nonlinear Optical Properties.
Manuel SoutoJoaquin CalboImma RateraEnrique OrtíJaume VecianaPublished in: Chemistry (Weinheim an der Bergstrasse, Germany) (2017)
Three conjugated donor-π-acceptor radical systems (1 a-1 c) were prepared by bridging a tetrathiafulvalene (TTF) electron-donor unit to a polychlorotriphenylmethyl (PTM) electron-acceptor radical through vinylene units of different lengths. The dependence of the intramolecular charge transfer on the length of the conjugated bridge has been analyzed by different electrochemical and spectroscopic techniques. Linear optical properties and the second-order nonlinear optical (NLO) response of these derivatives have been computed by comparing systems 1 a-1 c with the non-radical analogues (2 a-2 c). Interestingly, an enhanced NLO response is predicted for dyads 1 a-1 c with PTM in the radical form and for compounds with longer vinylene bridges. Calculations confirm the active role the bridge plays for electronic communication between the donor TTF and the acceptor PTM units.
Keyphrases
- solar cells
- energy transfer
- molecular docking
- photodynamic therapy
- high resolution
- gold nanoparticles
- minimally invasive
- molecular dynamics simulations
- magnetic resonance imaging
- ionic liquid
- density functional theory
- magnetic resonance
- molecularly imprinted
- high speed
- tandem mass spectrometry
- neural network
- contrast enhanced