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Issue 2, 2016
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Unexpected higher stabilisation of two classical antiaromatic frameworks with a ruthenium fragment compared to the osmium counterpart: origin probed by DFT calculations

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Abstract

Density functional theory (DFT) calculations were carried out to investigate the stability and aromaticity of metallapentalocyclobutadienes. The results reveal unexpected higher stabilisation achieved with a 3d ruthenium fragment compared to the 4d osmium counterpart. Moreover, direct 1–3 metal–carbon bonding in the metallabutadiene unit of these two complexes is negligible.

Graphical abstract: Unexpected higher stabilisation of two classical antiaromatic frameworks with a ruthenium fragment compared to the osmium counterpart: origin probed by DFT calculations

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The article was received on 05 Oct 2015, accepted on 18 Oct 2015 and first published on 19 Oct 2015


Article type: Communication
DOI: 10.1039/C5CC08291A
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Chem. Commun., 2016,52, 272-275

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    Unexpected higher stabilisation of two classical antiaromatic frameworks with a ruthenium fragment compared to the osmium counterpart: origin probed by DFT calculations

    J. Wu, Y. Hao, K. An and J. Zhu, Chem. Commun., 2016, 52, 272
    DOI: 10.1039/C5CC08291A

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