期刊
THEORETICAL CHEMISTRY ACCOUNTS
卷 137, 期 7, 页码 -出版社
SPRINGER
DOI: 10.1007/s00214-018-2272-6
关键词
Aromaticity; Carborane; NICS
资金
- Conselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPq)
- Fundac, ao de Amparo a Pesquisa do Estado de Minas Gerais (FAPEMIG)
- Financiadora de Estudos e Projetos (FINEP)
- Coordenac, ao de Aperfeicoamento de Pessoal de Nivel Superior (CAPES)
In this work, a novel study on aromaticity for a series of cobalt bis(dicarbollide) derivatives: [3-Co-(1,2-C2B9H9)(2)RX](-) (R, X = H, NH2, NO2, CH3, COH, OCH3, C6H5, Cl) is presented. For this goal the nucleus-independent chemical shift (NICS) calculations were used. Calculated negative NICS is found to be more than two times larger than the relatively high values obtained for other sandwich compounds of transition metals previously studied (Gribanova et al. in Chem Eur J 16(7):2272, 2010).
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据