Issue 2, 2016

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

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

Associated articles

Supplementary files

Article information

Article type
Communication
Submitted
05 Oct 2015
Accepted
18 Oct 2015
First published
19 Oct 2015

Chem. Commun., 2016,52, 272-275

Author version available

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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