Design of donor–π–acceptor type cyclo[18]carbon derivatives for infrared nonlinear optical materials: a theoretical perspective
Jingbo Xu, Jiaojiao Wang, Xiaohui Chen, Wenwen Zhao, Xiufen Yan, Zeyu Liu, Tian Lu, Aihua Yuan
Abstract
The geometries, electronic structures, photophysical properties, and optical nonlinearities of four cyclo[18]carbon (C 18 ) derivatives containing hydrogen (–H), amino (–NH 2 ) and/or nitro (–NO 2 ) groups were theoretically explored.
Topics & Concepts
Nonlinear opticalNitroCarbon skeletonCarbon atomCarbon fibersInfraredChemistryAcceptorAsymmetric carbonComputational chemistryInfrared spectroscopyHydrogenHydrogen atomNonlinear systemPhotochemistryMaterials scienceStereochemistryGroup (periodic table)Organic chemistryRing (chemistry)Optically activeOpticsPhysicsCondensed matter physicsQuantum mechanicsComposite numberComposite materialAlkylNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsPorphyrin and Phthalocyanine Chemistry