Synthesis and Electronic Structure of Anionic 1,1'-diphosphametallocenes of Chromium and Iron

Synthesis and Electronic Structure of Anionic 1,1'-diphosphametallocenes of Chromium and Iron

In this work, we report two anionic diphosphametallocenates, [K(2.2.2-crypt)][M(PC4Me4)2] (M = Cr, 2-Cr; Fe, 2-Fe). Both are low-spin (S = ½) by EPR spectroscopy and SQUID magnetometry. This contrasts the high-spin (S = ) ferrocenate, [K(2.2.2-crypt)][Fe(C5H2-1,2,4-tBu)2] (4-Fe). Quantum chemical ca...

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Veröffentlicht in:Chemical communications (Cambridge, England) England), 2020-12, Vol.57 (5)
Hauptverfasser: Greer, Samuel Michael, Üngor, Ökten, Beattie, Ross J., Kiplinger, Jaqueline L., Scott, Brian Lindley, Stein, Benjamin, Goodwin, Conrad Alexander Phillip
Format: Artikel
Sprache:eng
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INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Zusammenfassung:In this work, we report two anionic diphosphametallocenates, [K(2.2.2-crypt)][M(PC4Me4)2] (M = Cr, 2-Cr; Fe, 2-Fe). Both are low-spin (S = ½) by EPR spectroscopy and SQUID magnetometry. This contrasts the high-spin (S = ) ferrocenate, [K(2.2.2-crypt)][Fe(C5H2-1,2,4-tBu)2] (4-Fe). Quantum chemical calculations suggest this is due to significant differences in ligand field splitting of the d-orbitals which also explain structural features in the 2-M complexes.
ISSN:1359-7345
1364-548X