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Theoretical Studies on Aromaticity of Spiro Metallaaromatics of (C10H10M)2‒(M=Ni, Pd, Pt)

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Abstract

Aiming to identify the spiro metallaaromatic systems with potential application value, (C10H10M)2‒(M=Ni, Pd, Pt) derivatives were theoretically investigated. (C10H10M)2‒-Iso1, which has two 6-membered rings(6MRs) connected by the M spiro atom, is a 14π-aromatic as a whole plane. (C10H10M)2‒-Iso2 has one 6π-aromatic 5MR and one 10π-aromatic 7MR connected by the spiro atom. The free (C10H10M)2‒ dianions could not exist due to their rather high frontier orbital energies, while the neutral (C10H10M)Li2 compounds are extremely stable against dissociation. Since (C10H10M)Li2 coumponds are not fully coordinated, they trend to form (C10H10M)Li42+ dications, or even [(C10H10M)Li2]n polymers. Arguably, (C10H10M)2‒ planes are not the only examples for spiro metallaaromaticity, their derivatives are also potential material building blocks.

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Authors and Affiliations

  1. Chemistry Center, College of Food Engineering, Harbin University of Commerce, Harbin, 150076, P. R. China

    Nannan Liu

  2. Institute of Theoretical Chemistry, Jilin University, Changchun, 130021, P. R. China

    Jian Wang

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  1. Nannan Liu
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  2. Jian Wang
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Correspondence to Nannan Liu.

Additional information

Supported by the National Natural Science Foundation of China(No.21703049).

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Liu, N., Wang, J. Theoretical Studies on Aromaticity of Spiro Metallaaromatics of (C10H10M)2‒(M=Ni, Pd, Pt). Chem. Res. Chin. Univ. 34, 470–474 (2018). https://doi.org/10.1007/s40242-018-7354-4

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  • DOI: https://doi.org/10.1007/s40242-018-7354-4

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