Landis Clark R, Hughes Russell P, Weinhold Frank
Department of Chemistry, University of Wisconsin, Madison, WI 53706, USA.
Department of Chemistry, Dartmouth College, Hanover, NH 03755, USA.
Science. 2019 Aug 9;365(6453). doi: 10.1126/science.aay2355. Epub 2019 Aug 8.
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.
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。