化学
直接的
开壳
壳体(结构)
芴
双稳态
光化学
化学物理
计算化学
纳米技术
原子物理学
量子力学
聚合物
有机化学
单重态
物理
材料科学
复合材料
激发态
作者
Shantanu Mishra,Manuel Vilas‐Varela,Leonard-Alexander Lieske,Ricardo Ortíz,Shadi Fatayer,Igor Rončević,Florian Albrecht,Thomas Frederiksen,Diego Peña,Leo Groß
标识
DOI:10.1038/s41557-023-01431-7
摘要
Abstract Indenofluorenes are non-benzenoid conjugated hydrocarbons that have received great interest owing to their unusual electronic structure and potential applications in nonlinear optics and photovoltaics. Here we report the generation of unsubstituted indeno[1,2- a ]fluorene on various surfaces by the cleavage of two C–H bonds in 7,12-dihydroindeno[1,2- a ]fluorene through voltage pulses applied by the tip of a combined scanning tunnelling microscope and atomic force microscope. On bilayer NaCl on Au(111), indeno[1,2- a ]fluorene is in the neutral charge state, but it exhibits charge bistability between neutral and anionic states on the lower-workfunction surfaces of bilayer NaCl on Ag(111) and Cu(111). In the neutral state, indeno[1,2- a ]fluorene exhibits one of two ground states: an open-shell π -diradical state, predicted to be a triplet by density functional and multireference many-body perturbation theory calculations, or a closed-shell state with a para -quinodimethane moiety in the as -indacene core. We observe switching between open- and closed-shell states of a single molecule by changing its adsorption site on NaCl.
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