【摘 要】
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Metallaaromatics have attracted considerable interest from both experimentalists and theoreticians over the past three decades.However,most studies in this
【机 构】
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Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry and Department of Chemis
论文部分内容阅读
Metallaaromatics have attracted considerable interest from both experimentalists and theoreticians over the past three decades.However,most studies in this field have focused on metallabenzene,in which a CH group is replaced by a transition metal fragment.In comparison with monocyclic metallabenzenes,bicyclic metallanaphthalenes are rather limited.Thus,it is urgent to explore more synthetic approaches to this less developed system.One of the difficulties in the synthesis of metallanaphthalenes could be due to its low thermodynamic stability relative to the metal indenyl complexes.Here we present a thorough theoretical investigation by quantum chemical calculations to explore the possibility of realizing traditionally “unstable” metallanaphthalenes by an isomerization of traditionally “stable” metal indenyl complexes.
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