Nonlinear Optical Properties of Flavylium Salts: A Quantum Chemical Study
The Journal of Physical Chemistry A2010Vol. 114(32), pp. 8474–8479
Citations Over TimeTop 19% of 2010 papers
Abstract
Ab initio calculations have been carried out to unravel the relationships between the structure and the first hyperpolarizability in flavylium derivatives, with the aim to design efficient second-order nonlinear optical (NLO) switching compounds. Large contrasts of the first hyperpolarizability have been obtained along the pH-controlled and photoinduced transformations for specific combinations of chemical substituents in the 4'- and 7-positions, which demonstrates that these multistate systems should behave as highly efficient molecular NLO switches.
Related Papers
- → Quantum Chemical Study of the Structures and Stability of Copper(II) Bis(diketonate) Dimers(2021)4 cited
- → Quantum chemical vibrational analysis of the POCl3·AlCl3 complex(1998)2 cited
- Electron affinities of quinones from quantum chemical data(2004)
- → Some aspects of quantum-chemical study of the mercuriation of organophosphorus compounds(2008)
- → Generation of the atrane cations by nuclear-chemical method: Quantum-chemical study(2017)