Flipping the Oxidation State Formalism: Charge Distribution in Organometallic Complexes As Reported by Carbon Monoxide

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• 作者：Peter T. Wolczanski
• 刊名：Organometallics
• 出版年：2017
• 出版时间：February 13, 2017
• 年：2017
• 卷：36
• 期：3
• 页码：622-631
• 全文大小：620K
• ISSN：1520-6041

文摘

A desktop means of estimating the distribution of charge among the ligands in an organometallic complex is developed. An iron charge state of c_Fe = +2.0 is chosen as a reference, and by correlation of ν(CO) with charge, c_CO, in a set of carbonyl complexes, an equation of charge is generated. Application of this equation to the periodic table affords each transition metal a single charge, c_M, thereby flipping the oxidation state formalism. Ensuing investigations of carbonyl/L/X compounds leads to estimates of charge distributions among classes of ligands. Deemed charge distribution via reporters (CDVR), the method provides a means of assessing the stability of ligand combinations about metal centers within seconds and numerically supports common pedagogical intuition.