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关于“模拟过渡金属的碱土金属配合物M(CO)(M = Ca、Sr或Ba)的观察”的评论

Comment on "Observation of alkaline earth complexes M(CO) (M = Ca, Sr, or Ba) that mimic transition metals".

作者信息

Landis Clark R, Hughes Russell P, Weinhold Frank

机构信息

Department of Chemistry, University of Wisconsin, Madison, WI 53706, USA.

Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA.

出版信息

Science. 2019 Aug 9;365(6453). doi: 10.1126/science.aay2355. Epub 2019 Aug 8.

Abstract

Wu (Reports, 31 August 2018, p. 912) claim that recently characterized octacarbonyls of Ca, Sr, and Ba mimic the classical Dewar-Chatt-Duncanson bonding motif of transition metals. This claim, which contradicts known chemistry and computed electron density distributions, originates in the assumption of a flawed reference state for energy decomposition analyses.

摘要

吴(《报告》,2018年8月31日,第912页)声称,最近表征的钙、锶和钡的八羰基化合物模仿了过渡金属经典的杜瓦-查特-邓卡森成键模式。这一与已知化学和计算出的电子密度分布相矛盾的说法,源于对能量分解分析采用了有缺陷的参考态这一假设。

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