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Observation of “Outlaw” Dual Aromaticity in Unexpectedly Stable Open-Shell Metal Clusters Caused by Near-Degenerate Molecular Orbital Coupling 被引量:2
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作者 Jun Li Jing Wang +2 位作者 Jing Chen Yu-Xiang Bu Shi-Bo Cheng 《CCS Chemistry》 CAS 2021年第7期1913-1920,共8页
The Hückel’s rule,Baird’s rule,and electronic shell closure model are classical and well-established concepts in chemistry,which have long been employed in rationalizing the aromaticity/antiaromaticity of organ... The Hückel’s rule,Baird’s rule,and electronic shell closure model are classical and well-established concepts in chemistry,which have long been employed in rationalizing the aromaticity/antiaromaticity of organic species and stability of inorganic clusters.Thus,the observation of unique species featuring properties out of the fundamental frameworks of these rules is challenging but significant and helps in drawing a complete picture of fascinating concepts in chemistry. 展开更多
关键词 relative stability AROMATICITY inorganic metal clusters density functional theory calculations near-degenerate molecular orbital coupling electronic shell closure model
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