title: Metallapentalenofurans and Lactone-Fused Metallapentalynes.
abstract: Metalla-aromatics are attractive species because they exhibit the properties of both organometallics and aromatics. Reported metal-bridged polycyclic aromatic complexes, as well as Möbius aromatic species, are still rare. Herein, we present the construction of two new metal-bridged polycyclic aromatic frameworks, α-metallapentalenofurans and lactone-fused metallapentalynes, by the reactions of osmapentalyne with terminal aryl alkynes in the presence of H2O or HBF4/H2O, respectively. DFT calculations show that the α-metallapentalenofurans possess rare planar Craig-type Möbius aromaticity derived from the 11-center-12-electron dπ-pππ-conjugation. This study offers a new route for the construction of polycyclic metalla-aromatics as well as planar Möbius aromatic species.
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces and Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P.R. China.
authors.forename: Zhengyu
authors.initials: Z
authors.lastname: Lu
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces and Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P.R. China.
authors.forename: Congqing
authors.initials: C
authors.lastname: Zhu
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces and Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P.R. China.
authors.forename: Yuanting
authors.initials: Y
authors.lastname: Cai
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces and Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P.R. China.
authors.forename: Jun
authors.initials: J
authors.lastname: Zhu
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces and Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P.R. China.
authors.forename: Yuhui
authors.initials: Y
authors.lastname: Hua
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces and Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P.R. China.
authors.forename: Zhixin
authors.initials: Z
authors.lastname: Chen
authors.affiliation: Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen, 361005, P.R. China.
authors.forename: Jiangxi
authors.initials: J
authors.lastname: Chen
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces and Collaborative Innovation Center of Chemistry for Energy Materials (iChEM), College of Chemistry and Chemical Engineering, Xiamen University, Xiamen, 361005, P.R. China.
authors.forename: Haiping
authors.initials: H
authors.lastname: Xia
mesh_terms: D000480:Alkynes / Q000737:chemistry; D056831:Coordination Complexes / Q000737:chemistry*; D018360:Crystallography, X-Ray; D005663:Furans / Q000737:chemistry*; D007783:Lactones / Q000737:chemistry*; D008670:Metals / Q000737:chemistry*; D008968:Molecular Conformation; D009992:Osmium / Q000737:chemistry; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry; D011789:Quantum Theory
chemical_list: D000480:Alkynes; D056831:Coordination Complexes; D005663:Furans; D007783:Lactones; D008670:Metals; D011084:Polycyclic Aromatic Hydrocarbons; D009992:Osmium
keywords: aromaticity; density functional calculations; metallacycles; metallapentalyne; osmium