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Dipole Switchable Poly(para-phenyleneethynylene)s: Ferroelectric Conjugated Polymers
摘要： Dipolar 2,3-difluorobenzene-units are introduced into the backbone of a poly(para-phenyleneethynylene) (PPE) to generate a ferroelectric conjugated polymer. The structural features of the partially fluorinated PPE allow for the generation of a remanent polarization in the solid state: The difluorinated benzene rings behave as molecular rotors at high temperature, while at room temperature, stacking of such rings clamps down the ring orientation. The molecular dipoles can still be oriented by moderate external electrical fields at room temperature, and this PPE is then a ferroelectric. The concept should be transferable to other poly(aryleneethynylene)s and novel conjugated ferroelectric conjugated polymers will be accessible using this concept.
关键词： Molecular Rotors,Molecular devices,Organic Ferroelectrics,Polymers
更新于2025-09-23 15:21:01
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Dipole Switchable Poly(para-phenyleneethynylene)s: Ferroelectric Conjugated Polymers
摘要： Dipolar 2,3-difluorobenzene-units are introduced into the backbone of a poly(para-phenyleneethynylene) (PPE) to generate a ferroelectric conjugated polymer. The structural features of the partially fluorinated PPE allow for the generation of a remanent polarization in the solid state: The difluorinated benzene rings behave as molecular rotors at high temperature, while at room temperature, stacking of such rings clamps down the ring orientation. The molecular dipoles can still be oriented by moderate external electrical fields at room temperature, and this PPE is then a ferroelectric. The concept should be transferable to other poly(aryleneethynylene)s and novel conjugated ferroelectric conjugated polymers will be accessible using this concept.
关键词： Molecular Rotors,Molecular devices,Organic Ferroelectrics,Polymers
更新于2025-09-23 15:21:01
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Molecular motors with high quantum efficiency and visible-light responsiveness: Meeting two challenges in one design
摘要： The development of light-driven rotary molecular motors is guided by a number of key goals regarding performance and applicability. While a variety of approaches to achieve high quantum yields for small UV-driven motors have been discovered, such as incorporating a protonated or alkylated nitrogen Schiff base, less progress has been made toward the goal to power molecular motors with nondestructive visible light, which will facilitate their future usage in radiation-sensitive environments. Here, we present non-adiabatic molecular dynamics simulations based on multiconfigurational quantum chemistry to demonstrate that Schiff-base motors can maintain high quantum yields also when their conjugated systems are sufficiently large for them to rather be driven by visible light. In particular, we show that a visible-light responsive Schiff-base motor featuring dihydropyridinium and cyclopentenylidene motifs achieves quantum yields of almost 70% for each of the two photoisomerizations that underlie its rotary motion.
关键词： Molecular devices,Quantum yield,Rotary motion,Molecular dynamics,Visible light
更新于2025-09-04 15:30:14