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Insights into the influence of ethylene group orientation on the iron(III) spin state in the spin crossover complex [FeIII(Sal2-trien)]+

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Abstract

The DFT calculations of the spin crossover complex [FeIII(Sal2-trien)]+ (1) with the following classification of conformers of 1 were performed. The study shows that rearrangements of ethylene group orientation in a coordinated ligand lead to the stabilization of the high-spin or low-spin iron(III) state.

Graphical abstract: Insights into the influence of ethylene group orientation on the iron(iii) spin state in the spin crossover complex [FeIII(Sal2-trien)]+

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Publication details

The article was received on 07 Sep 2018, accepted on 19 Oct 2018 and first published on 22 Oct 2018


Article type: Communication
DOI: 10.1039/C8DT03619E
Citation: Dalton Trans., 2018, Advance Article
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    Insights into the influence of ethylene group orientation on the iron(III) spin state in the spin crossover complex [FeIII(Sal2-trien)]+

    M. A. Blagov, V. B. Krapivin, S. V. Simonov and N. G. Spitsyna, Dalton Trans., 2018, Advance Article , DOI: 10.1039/C8DT03619E

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