T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “BeO analogues of annulated cyclooctatetraene and cyclodecapentaene as new inorganic species with unusual multiple hypervalent O∙∙∙O interactions”, Mendeleev Commun., 34:6 (2024), 798

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Mendeleev Communications, 2024, Volume 34, Issue 6, Pages 798–801
DOI: https://doi.org/10.1016/j.mencom.2024.10.010 (Mi mendc255)

Communications

BeO analogues of annulated cyclooctatetraene and cyclodecapentaene as new inorganic species with unusual multiple hypervalent O∙∙∙O interactions

T. N. Gribanova, R. M. Minyaev, V. I. Minkin

Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation

Full-text PDF (535 kB) Supplementary materials

DOI: https://doi.org/10.1016/j.mencom.2024.10.010

Graphic abstract: BeO analogues of annulated cyclooctatetraene and cyclodecapentaene as new inorganic species with unusual multiple hypervalent O∙∙∙O interactions

Abstract: Density functional theory calculations at the level of B3LYP/6-311+G(df,p) and wB97XD/6-311+G(df,p) predict stability of the BeO analogues of annulated cyclooctatetraene and cyclodecapentaene, Be_nO_nH_n (n = 8, 10), which uniquely feature the presence of multiple hypervalent diagonal O∙∙∙O interactions within the four-membered rings.

Keywords: beryllium oxide, BeO-based nanostructures, annulated cyclooctatetraene derivatives, hypervalent interaction, hyper- bonding, hypercoordination, oxygen–oxygen interactions, non-classical systems, planar tetracoordinated oxygen, inorganic building block.

Bibliographic databases:

Document Type: Article

Language: English

*Supplementary materials:*
		Supplementary_data_1.pdf	(220.0 Kb)

Citation: T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “BeO analogues of annulated cyclooctatetraene and cyclodecapentaene as new inorganic species with unusual multiple hypervalent O∙∙∙O interactions”, Mendeleev Commun., 34:6 (2024), 798–801

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https://www.mathnet.ru/eng/mendc255

https://www.mathnet.ru/eng/mendc/v34/i6/p798

Citing articles in Google Scholar: Russian citations, English citations
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