Theoretical Study on Sandwich-Like Transition-Metal–Cyclooctatetraene Clusters and One-Dimensional Infinite Molecular Wires

[Image: see text] Using density functional theory calculations, we investigated the structure and electronic properties of cyclooctatetraene (C(8)H(8), COT)-ligand mono- or bi-transition-metal (M) sandwich clusters, M(n)(COT)(n+1) (M = Sc, Ti, Cr, Mn, n = 1, 2) or (COT)M(1)(COT)M(2)(COT), as well as...

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Detalles Bibliográficos
Autores principales: Gao, Weicheng, Yao, Xiaojing, Sun, Yi, Sun, Weikang, Liu, Hongfei, Liu, Jianshuang, Liu, Yongjun, Zhang, Xiuyun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648966/
https://www.ncbi.nlm.nih.gov/pubmed/31460064
http://dx.doi.org/10.1021/acsomega.9b00637

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