Tuning the first hyperpolarizability of hexaphyrins with different connections of mislinked pyrrole units: a theoretical study
Bo Li, Palanivel Sathishkumar, Feng Long Gu
Abstract
= 7120 a.u.), respectively. It is worth noting that increasing mislinked connection numbers and changing mislinked connection ways of the pyrrole units in these mislinked expanded hexaphyrins plays a crucial role in the tune of their second-order NLO responses.
Topics & Concepts
HyperpolarizabilityPyrroleComputational chemistryNanotechnologyChemistryMaterials sciencePhysicsOrganic chemistryNonlinear systemQuantum mechanicsNonlinear opticalNonlinear Optical Materials ResearchPorphyrin and Phthalocyanine ChemistrySynthesis and Properties of Aromatic Compounds