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.File | Dimensione | Formato | |
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2011_Cryst.-Growth-Des._11_5642.pdf
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