环状环四烯和环十戊烯的BeO类似物作为新的无机物质具有不寻常的多重高价O∙∙O相互作用

IF 1.8 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Mendeleev Communications Pub Date : 2024-11-01 DOI:10.1016/j.mencom.2024.10.010

Tatyana N. Gribanova, Ruslan M. Minyaev, Vladimir I. Minkin

引用次数: 0

摘要

在B3LYP/6-311+G（df,p）和wB97XD/6-311+G（df,p）水平上的密度泛函理论计算预测了环状环四烯和环十烯的BeO类似物BenOnHn （n = 8,10）的稳定性，其独特特征是在四元环内存在多个高价对角线O∙∙O相互作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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

查看原文本刊更多论文

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

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.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Mendeleev Communications 化学-化学综合

CiteScore

3.00

自引率

21.10%

发文量

226

审稿时长

4-8 weeks

期刊介绍： Mendeleev Communications is the journal of the Russian Academy of Sciences, launched jointly by the Academy of Sciences of the USSR and the Royal Society of Chemistry (United Kingdom) in 1991. Starting from 1st January 2007, Elsevier is the new publishing partner of Mendeleev Communications. Mendeleev Communications publishes short communications in chemistry. The journal primarily features papers from the Russian Federation and the other states of the former USSR. However, it also includes papers by authors from other parts of the world. Mendeleev Communications is not a translated journal, but instead is published directly in English. The International Editorial Board is composed of eminent scientists who provide advice on refereeing policy.