An experimental and theoretical study of LuNC@C<sub>76,82</sub> revealing a cage-cluster selection rule
Wangqiang Shen, Ziqi Hu, Pengwei Yu, Zhan Wei, Peng Jin, Zujin Shi, Xing Lü
Abstract
Four novel Lu-based monometallic cyanide clusterfullerenes were successfully obtained and characterized. X-ray and theoretical results demonstrated that the configuration of internal LuNC unit is governed by the Lu-cage coordination interactions.
Topics & Concepts
CageCluster (spacecraft)Selection (genetic algorithm)CyanideCrystallographyChemistryMaterials scienceComputer scienceCombinatoricsMathematicsInorganic chemistryArtificial intelligenceProgramming languageFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchGraphene research and applications