Journal
MOLECULES
Volume 19, Issue 7, Pages 10574-10586Publisher
MDPI
DOI: 10.3390/molecules190710574
Keywords
nonlinear optics; molecular switches; alkali ion sensing; hyper-Rayleigh scattering; quantum chemical calculations; merocyanine/spiropyran
Funding
- CNRS
- Region Aquitaine
- F.R.S.-FNRS
- AUL (ARC TinTin)
- Belgian Government (IUAP) [P7/5]
- FNRS-FRFC [2.4.617.07.F, 2.5020.11]
- University of Namur
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This work demonstrates by means of DFT and ab initio calculations that recognition of alkali cations can be achieved by probing the variations of the second-order nonlinear optical properties along the commutation process in spiropyran/merocyanine systems. Due to the ability of the merocyanine isomer to complex metal cations, the switching between the two forms is accompanied by large contrasts in the quadratic hyperpolarizability that strongly depend on the size of the cation in presence. Exploiting the nonlinear optical responses of molecular switches should therefore provide powerful analytical tools for detecting and identifying metal cations in solution.
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