How can [MoIV(CN)6]2−, an apparently octahedral (d)2 complex, be diamagnetic? Insights from quantum chemical calculations and magnetic susceptibility measurementsElectronic supplementary information (ESI) available: Optimized Cartesian coordinates, plots of molecular orbitals, additional computational results, pseudopotentials and structures optimized in periodic DFT calculations, magnetic susceptibility data, and derivation of the theoretical model to explain temperature dependence of the magne

How can [MoIV(CN)6]2−, an apparently octahedral (d)2 complex, be diamagnetic? Insights from quantum chemical calculations and magnetic susceptibility measurementsElectronic supplementary information (ESI) available: Optimized Cartesian coordinates, plots of molecular orbitals, additional computational results, pseudopotentials and structures optimized in periodic DFT calculations, magnetic susceptibility data, and derivation of the theoretical model to explain temperature dependence of the magne

Quantum chemical calculations are employed to elucidate the origin of a puzzling diamagnetism for a hexacyanomolybdate( iv ) anion, [Mo(CN) 6 ] 2− , which was previously reported by Szklarzewicz et al. [ Inorg. Chem. , 2007, 46 , 9531-9533]. The diamagnetism is surprising because for the octahedral...

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Hauptverfasser: Rado, Mariusz, Rejmak, Pawe, Fitta, Magdalena, Ba anda, Maria, Szklarzewicz, Janusz
Format: Artikel
Sprache:eng
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