A Complex Containing A 2,20-Bipyridyl Radical Anion - ORBi - ULiège

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Request a copy Article (Scientific journals)Experimental and Computational Study of the Structural and Electronic Properties of Fe II(2,20-bipyridine)(mes) 2 and [Fe II(2,20-bipyridine)(mes) 2] -, a Complex Containing a 2,20-Bipyridyl Radical AnionIrwin, Mark; Jenkins, Rhiannon; Denning, Mark et al.2010 • In Inorganic Chemistry, 49, p. 6160-6171 Peer Reviewed verified by ORBiPermalinkhttps://hdl.handle.net/2268/135658PubMed20533824 Files (1)Send toDetailsStatisticsBibliographySimilar publications

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Keywords :x-ray diffraction; Mossbauer spectroscopy; magnetic properties Abstract :[en] Addition of potassium metal and 2,2,2-crypt (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane) to a tetrahydrofuran (THF) solution of Fe(2,20 -bipyridine)(mes)2 (1; mes = 2,4,6-Me3C6H2) yielded the anionic complex [Fe(2,20 -bipyridine)(mes)2] - which was isolated as [K(2,2,2-crypt)][Fe(2,20 -bipyridine)(mes) 2](2) alongside the side-product [K(2,2,2-crypt)][Fe(mes)3] 3 C6H12 (3). A compositionally pure sample of 2 was obtained by dissolving a mixture of 2 and 3 in dry pyridine and layering the resulting solution with toluene. Solid state magnetic susceptibility measurements on 1 reveal Curie-Weiss paramagnetic behavior with a molar magnetic moment of 5.12(1) μB between 20 and 300 K, a value which is in line with the expected iron(II) spin-only value of 4.90 μB. The magnetic measurements carried out on 2 reveal more complex temperature dependent behavior consistent with intramolecular antiferromagnetic coupling (J=-46 cm -1) between the unpaired electrons of the iron(II) ion (S Fe =2) and a π* orbital of the bipyridyl radical (Sbipy = 1/2). Structural data, M€ossbauer and electron paramagnetic resonance (EPR) spectroscopic measurements, and density functional theory (DFT) calculations are all consistent with this model of the electronic structure. To the best of our knowledge, species 2 represents the first crystallographically characterized transition metal complex of the 2,20 -bipyridyl ligand for which magnetic, spectroscopic, and computational data indicate the presence of an unpaired electron in the π* antibonding orbital. Disciplines :Chemistry Author, co-author :Irwin, Mark; Oxford University > ChemistryJenkins, Rhiannon; Oxford University > ChemistryDenning, Mark; Oxford University > ChemistryKramer, Tobias; Oxford University > ChemistryGrandjean, Fernande ; Université de Liège - ULiège > Département de physique > Département de physiqueLong, Gary J; Missouri University of Science and Technology > ChemistryHerchel, Radovan; Palacky University > ChemistryMc Gready, John; Oxford University > ChemistryGoicoechea, Jose; Oxford University > Chemistry Language :English Title :Experimental and Computational Study of the Structural and Electronic Properties of Fe II(2,20-bipyridine)(mes) 2 and [Fe II(2,20-bipyridine)(mes) 2] -, a Complex Containing a 2,20-Bipyridyl Radical Anion Publication date :2010 Journal title :Inorganic Chemistry ISSN :0020-1669 eISSN :1520-510X Publisher :American Chemical Society (ACS), Washington, United States - District of Columbia Volume :49 Pages :6160-6171 Peer reviewed :Peer Reviewed verified by ORBi Available on ORBi :since 30 November 2012

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