Andris Erik, Jašík Juraj, Gómez Laura, Costas Miquel, Roithová Jana
Department of Organic Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030/8, 12843, Prague 2, Czech Republic.
Departament de Quimica and Institute of Computational Chemistry and Catalysis (IQCC), University of Girona, Campus Montilivi, Girona, 17071, Spain.
Angew Chem Int Ed Engl. 2016 Mar 7;55(11):3637-41. doi: 10.1002/anie.201511374. Epub 2016 Feb 16.
Closely structurally related triplet and quintet iron(IV) oxo complexes with a tetradentate aminopyridine ligand were generated in the gas phase, spectroscopically characterized, and their reactivities in hydrogen-transfer and oxygen-transfer reactions were compared. The spin states were unambiguously assigned based on helium tagging infrared photodissociation (IRPD) spectra of the mass-selected iron complexes. It is shown that the stretching vibrations of the nitrate counterion can be used as a spectral marker of the central iron spin state.
在气相中生成了与四齿氨基吡啶配体结构紧密相关的三重态和五重态铁（IV）氧配合物，对其进行了光谱表征，并比较了它们在氢转移和氧转移反应中的反应活性。基于质量选择的铁配合物的氦标记红外光解离（IRPD）光谱明确确定了自旋态。结果表明，硝酸根抗衡离子的伸缩振动可作为中心铁自旋态的光谱标记。
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