T. N. Gribanova, R. M. Minyaev, V. I. Minkin, “Polynuclear sandwich derivatives of [10]annulene: A quantum chemical study”, Mendeleev Commun., 33:3 (2023), 302

Эта публикация цитируется в 4 статьях

Communications

Polynuclear sandwich derivatives of [10]annulene: A quantum chemical study

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

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

Аннотация: Density-functional theory (DFT) calculations at B3LYP/6-311+G(df,p) and M06/6-311+G(df,p) levels of theory predict the stability of new polynuclear sandwich complexes [Cu₅(C₁₀H₁₀)₂]⁺ and Ni₅(C₁₀H₁₀)₂ based on flat [10]annulene cycles.

Ключевые слова: polynuclear sandwich compounds, quantum-chemical calculations, non-standard conformations, [10]annulene, copper complexes, nickel complexes.

Язык публикации: английский

DOI: 10.1016/j.mencom.2023.04.002

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		Supplementary_data_1.pdf	398.0 Kb