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Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(iv) complexes†
†Electronic supplementary information (ESI) available: VT MCD spectra, VT and VTVH MCD intensity analysis of complex 1, energies, S
x, S
z values and Boltzmann populations of S = 1 magnetic sublevels as a function of the applied magnetic field, derivation of the excited states arising from the 1b2 → 2b1 transition, determination of the C-term sign of band 1 and the E(2e → 2a1) transitions for complex 1, VTVH MCD spectra, VTVH simulations and the computed MCD spectrum of complex 2. See DOI: 10.1039/c4sc03268c
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Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(iv) complexes† †Electronic supplementary information (ESI) available: VT MCD spectra, VT and V...

by Ye, Shengfa, Xue, Genqiang, Krivokapic, Itana, Petrenko, Taras, Bill, Eckhard, Que Jr, Lawrence, Neese, Frank
Published 2015

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