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Engineering Second-Order Nonlinear Optical Activity by Means of a Noncentrosymmetric Distortion of the [Te−N]2Supramolecular Synthon
- Source :
- Crystal Growth & Design; 20240101, Issue: Preprints
- Publication Year :
- 2024
-
Abstract
- Moderate steric repulsion within the supramolecular ribbon chains assembled by 1,2,5-telluradiazole derivatives causes a distortion of the [Te−N]2supramolecular synthon which removes the inversion center from the four-membered virtual ring. This geometrical feature can propagate through the lattice, creating a noncentrosymmetric crystal with second-order nonlinear optical (NLO) properties. This principle was demonstrated in the cases of 3,4-dicyano-1,2,5-telluradiazole and 5,6-dichlorobenzo-2,1,3-telluradiazole. The second harmonic generation efficiency of these materials, however, is modest because the molecular dipole moments have a nearly antiparallel arrangement in the ribbons. The structure of 5-benzoylbenzo-2,1,3-telluradiazole demonstrates that it is indeed possible to extend this strategy to generate acentric crystals of benzo-2,1,3-telluradiazoles featuring pendant groups (including NLO chromophores) and in this way design more efficient NLO materials.
Details
- Language :
- English
- ISSN :
- 15287483 and 15287505
- Issue :
- Preprints
- Database :
- Supplemental Index
- Journal :
- Crystal Growth & Design
- Publication Type :
- Periodical
- Accession number :
- ejs22350598
- Full Text :
- https://doi.org/10.1021/cg101060s