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

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

Tatyana N Gribanova 1
Tatyana N Gribanova
, 
Ruslan Mikhailovich Minyaev 1
Ruslan Mikhailovich Minyaev
, 
Vladimir Isaakovich Minkin 1
Vladimir Isaakovich Minkin
1 Institute of Physical and Organic Chemistry, Southern Federal University, Rostov-on-Don, Russian Federation
10.1016/j.mencom.2023.04.002
Published 2023-04-13
Communication , Volume 33, Issue 3, 302-305
4
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Gribanova T. N., Minyaev R. M., Minkin V. I. Polynuclear sandwich derivatives of [10]annulene: A quantum chemical study // Mendeleev Communications. 2023. Vol. 33. No. 3. pp. 302-305.
GOST all authors (up to 50) Copy
Gribanova T. N., Minyaev R. M., Minkin V. I. Polynuclear sandwich derivatives of [10]annulene: A quantum chemical study // Mendeleev Communications. 2023. Vol. 33. No. 3. pp. 302-305.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/j.mencom.2023.04.002
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.04.002
TI - Polynuclear sandwich derivatives of [10]annulene: A quantum chemical study
T2 - Mendeleev Communications
AU - Gribanova, Tatyana N
AU - Minyaev, Ruslan Mikhailovich
AU - Minkin, Vladimir Isaakovich
PY - 2023
DA - 2023/04/13
PB - Mendeleev Communications
SP - 302-305
IS - 3
VL - 33
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{2023_Gribanova,
author = {Tatyana N Gribanova and Ruslan Mikhailovich Minyaev and Vladimir Isaakovich Minkin},
title = {Polynuclear sandwich derivatives of [10]annulene: A quantum chemical study},
journal = {Mendeleev Communications},
year = {2023},
volume = {33},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.04.002},
number = {3},
pages = {302--305},
doi = {10.1016/j.mencom.2023.04.002}
}
MLA
Cite this
MLA Copy
Gribanova, Tatyana N., et al. “Polynuclear sandwich derivatives of [10]annulene: A quantum chemical study.” Mendeleev Communications, vol. 33, no. 3, Apr. 2023, pp. 302-305. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2023.04.002.

Keywords

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

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 [Cu5(C10H10)2]+ and Ni5(C10H10)2 based on flat [10]annulene cycles.

References

.
Nucleus-Independent Chemical Shifts:  A Simple and Efficient Aromaticity Probe
Schleyer P.V., Maerker C., Dransfeld A., Jiao H., van Eikema Hommes N.J.
Journal of the American Chemical Society, 1996
.
Bioorganometallic Chemistry of Ferrocene
van Staveren D.R., Metzler-Nolte N.
Chemical Reviews, 2004
.
A New Type of Organo-Iron Compound
KEALY T.J., PAUSON P.L.
Nature, 1951
.
114. Dicyclopentadienyliron
Miller S.A., Tebboth J.A., Tremaine J.F.
Journal of the Chemical Society (Resumed), 1952
.
Monomers and Polymers of Tripalladium(0) Ditropylium Halides
Mulligan F.L., Babbini D.C., Davis I.R., Hurst S.K., Nichol G.S.
Inorganic Chemistry, 2009
.
Cooperativity in Hydrogen-Bonded Interactions:  Ab Initio and “Atoms in Molecules” Analyses
Ziółkowski M., Grabowski S.J., Leszczynski J.
Journal of Physical Chemistry A, 2006
.
Electronic structure, spectroscopy, and photochemistry of group 8 metallocenes
Yamaguchi Y., Ding W., Sanderson C.T., Borden M.L., Morgan M.J., Kutal C.
Coordination Chemistry Reviews, 2007
.
Ni2 revisited: Reassignment of the ground electronic state
Pinegar J.C., Langenberg J.D., Arrington C.A., Spain E.M., Morse M.D.
Journal of Chemical Physics, 1995
.
1,2-Didehydro[10]annulenes:  Structures, Aromaticity, and Cyclizations
Navarro-Vázquez A., Schreiner P.R.
Journal of the American Chemical Society, 2005
.
Renaissance of Annulene Chemistry
Spitler E.L., Johnson C.A., Haley M.M.
Chemical Reviews, 2006
.
Square Tetrapalladium Sheet Sandwich Complexes: Cyclononatetraenyl as a Versatile Face-Capping Ligand
Murahashi T., Inoue R., Usui K., Ogoshi S.
Journal of the American Chemical Society, 2009
.
Molecular structure and bonding in the 3d metallocenes
Haaland A.
Accounts of Chemical Research, 1979
.
Extended polymetallic sandwich compounds
Burdett J.K., Canadell E.
Organometallics, 1985
.
Discrete Sandwich Compounds of Monolayer Palladium Sheets
Murahashi T., Fujimoto M., Oka M., Hashimoto Y., Uemura T., Tatsumi Y., Nakao Y., Ikeda A., Sakaki S., Kurosawa H.
Science, 2006
.
Theoretical study of the novel sandwich compound [Au3Cl3Tr2]2+
Muñiz J., Enrique Sansores L., Martínez A., Salcedo R.
Journal of Molecular Modeling, 2008
.
Fourier transform emission spectroscopy of the copper dimer
Ram R.S., Jarman C.N., Bernath P.F.
Journal of Molecular Spectroscopy, 1992
.
Spectroscopy of Nin(benzene)m anion complexes
Rao B.K., Jena P.
Journal of Chemical Physics, 2002
.
Discrete Triangular Tripalladium Sandwich Complexes of Arenes
Murahashi T., Fujimoto M., Kawabata Y., Inoue R., Ogoshi S., Kurosawa H.
Angewandte Chemie - International Edition, 2007
.
Copper(I), silver(I), and gold(I) complexes of all - Z -tribenzo[12]annulene
Yoshida T., Kuwatani Y., Hara K., Yoshida M., Matsuyama H., Iyoda M., Nagase S.
Tetrahedron Letters, 2001