Three new push pull molecules having either pyridyl or N, N-dimethylanilino groups as electron-donor moieties and the p-iodotetrafluorophenyl ring as an electron-acceptor group have been synthesized and their single crystal X-ray structures are reported. Halogen bonding drives the self-assembly of these molecules in the solid state giving rise to head-to-tail halogen-bonded infinite polar chains which crystallize in an antiparallel arrangement. The three new nonlinear optical (NLO)-phores synthesized show high hyperpolarizabilities at the molecular level in solution. Rationalization of the obtained NLO measurements is supported by molecular modeling calculations.

Self-complementary nonlinear optical-phores targeted to halogen bond-driven self-assembly of electro-optic materials

CAVALLO, GABRIELLA;METRANGOLO, PIERANGELO;RESNATI, GIUSEPPE;TERRANEO, GIANCARLO;
2011-01-01

Abstract

Three new push pull molecules having either pyridyl or N, N-dimethylanilino groups as electron-donor moieties and the p-iodotetrafluorophenyl ring as an electron-acceptor group have been synthesized and their single crystal X-ray structures are reported. Halogen bonding drives the self-assembly of these molecules in the solid state giving rise to head-to-tail halogen-bonded infinite polar chains which crystallize in an antiparallel arrangement. The three new nonlinear optical (NLO)-phores synthesized show high hyperpolarizabilities at the molecular level in solution. Rationalization of the obtained NLO measurements is supported by molecular modeling calculations.
2011
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11311/622971
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