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// Mendeleev Communications
// Archive
Mendeleev Commun.,
2023
Volume 33,
Issue 3,
Pages
302–305
(Mi mendc379)
This article is cited in
4
papers
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
Abstract:
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 [Cu
5
(C
10
H
10
)
2
]
+
and Ni
5
(C
10
H
10
)
2
based on flat [10]annulene cycles.
Keywords:
polynuclear sandwich compounds, quantum-chemical calculations, non-standard conformations, [10]annulene, copper complexes, nickel complexes.
Language:
English
DOI:
10.1016/j.mencom.2023.04.002
Fulltext:
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Supplementary materials:
Supplementary_data_1.pdf
398.0 Kb
©
Steklov Math. Inst. of RAS
, 2025
Fulltext:
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