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Highly Coordinated Heteronuclear Calcium–Iron Carbonyl Cation Complexes [CaFe(CO) n ] + ( n =5–12) with d−d Bonding
Author(s) -
Jin Xiaoyang,
Bai Yuna,
Zhou Yangyu,
Wang Guanjun,
Zhao Lili,
Zhou Mingfei,
Frenking Gernot
Publication year - 2021
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.202103267
Subject(s) - heteronuclear molecule , chemistry , dication , crystallography , photodissociation , molecule , infrared spectroscopy , transition metal , spectroscopy , chemical bond , metal carbonyl , metal , inorganic chemistry , stereochemistry , nuclear magnetic resonance spectroscopy , photochemistry , organic chemistry , physics , quantum mechanics , catalysis
Heteronuclear calcium–iron carbonyl cation complexes in the form of [CaFe(CO) n ] + ( n =5–12) are produced in the gas phase. Infrared photodissociation spectroscopy in conjunction with quantum chemical calculations confirm that the n =10 complex is the coordination saturated ion where a Fe(CO) 4 fragment is bonded with a Ca(CO) 6 fragment through two side‐on bridging carbonyl ligands. Bonding analysis indicates that it is best described by the bonding interactions between a [Ca(CO) 6 ] 2+ dication and an [Fe(CO) 4 ] − anion forming a Fe→Ca d−d dative bond in the [(CO) 6 Ca–Fe(CO) 4 ] + structure, which enriches the pool of experimentally observed complexes of calcium that mimic transition metal compounds. The molecule is the first example of a heteronuclear carbonyl complex featuring a d−d bond between calcium and a transition metal.