TY - JOUR
T1 - Engineering second-order nonlinear optical activity by means of a noncentrosymmetric distortion of the [Te-N]2 supramolecular synthon
AU - Cozzolino, Anthony F.
AU - Yang, Qin
AU - Vargas-Baca, Ignacio
N1 - Copyright:
Copyright 2011 Elsevier B.V., All rights reserved.
PY - 2010/11/3
Y1 - 2010/11/3
N2 - Moderate steric repulsion within the supramolecular ribbon chains assembled by 1,2,5-telluradiazole derivatives causes a distortion of the [Te-N] 2 supramolecular 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.
AB - Moderate steric repulsion within the supramolecular ribbon chains assembled by 1,2,5-telluradiazole derivatives causes a distortion of the [Te-N] 2 supramolecular 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.
UR - http://www.scopus.com/inward/record.url?scp=78149321371&partnerID=8YFLogxK
U2 - 10.1021/cg101060s
DO - 10.1021/cg101060s
M3 - Article
AN - SCOPUS:78149321371
VL - 10
SP - 4959
EP - 4964
JO - Crystal Growth and Design
JF - Crystal Growth and Design
SN - 1528-7483
IS - 11
ER -