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Structure and magnetic properties of di-o-semiquinone complexes of alkali metals with a bischelate linker: a quantum chemical study

Alena Andreevna Starikova 1
Alena Andreevna Starikova
, 
Vladimir Isaakovich Minkin 1
Vladimir Isaakovich Minkin
10.1016/j.mencom.2016.09.020
Published 2016-09-08
Communication , Volume 26, Issue 5, 423-425
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Starikova A. A., Minkin V. I. Structure and magnetic properties of di-o-semiquinone complexes of alkali metals with a bischelate linker: a quantum chemical study // Mendeleev Communications. 2016. Vol. 26. No. 5. pp. 423-425.
GOST all authors (up to 50) Copy
Starikova A. A., Minkin V. I. Structure and magnetic properties of di-o-semiquinone complexes of alkali metals with a bischelate linker: a quantum chemical study // Mendeleev Communications. 2016. Vol. 26. No. 5. pp. 423-425.
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TY - JOUR
DO - 10.1016/j.mencom.2016.09.020
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.09.020
TI - Structure and magnetic properties of di-o-semiquinone complexes of alkali metals with a bischelate linker: a quantum chemical study
T2 - Mendeleev Communications
AU - Starikova, Alena Andreevna
AU - Minkin, Vladimir Isaakovich
PY - 2016
DA - 2016/09/08
PB - Mendeleev Communications
SP - 423-425
IS - 5
VL - 26
ER -
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@article{2016_Starikova,
author = {Alena Andreevna Starikova and Vladimir Isaakovich Minkin},
title = {Structure and magnetic properties of di-o-semiquinone complexes of alkali metals with a bischelate linker: a quantum chemical study},
journal = {Mendeleev Communications},
year = {2016},
volume = {26},
publisher = {Mendeleev Communications},
month = {Sep},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.09.020},
number = {5},
pages = {423--425},
doi = {10.1016/j.mencom.2016.09.020}
}
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Starikova, Alena Andreevna, and Vladimir Isaakovich Minkin. “Structure and magnetic properties of di-o-semiquinone complexes of alkali metals with a bischelate linker: a quantum chemical study.” Mendeleev Communications, vol. 26, no. 5, Sep. 2016, pp. 423-425. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2016.09.020.

Abstract

The DFT calculations reveal a possibility of controlling the magnetic properties of di-o-semiquinone complexes via coupling radical-anion moieties with a transition metal bischelate linker.

References

4.
SATO O.
Proceedings of the Japan Academy Series B: Physical and Biological Sciences, 2012
5.
10.1016/j.mencom.2016.09.020_sbref0015b
Spin-Crossover Materials: Properties and Applications, 2013
9.
Design of magnetic coordination complexes for quantum computing
Aromí G., Aguilà D., Gamez P., Luis F., Roubeau O.
Chemical Society Reviews, 2012
10.
Spin-based quantum computers made by chemistry: hows and whys
Stamp P.C., Gaita-Ariño A.
Journal of Materials Chemistry A, 2009
11.
Engineering the coupling between molecular spin qubits by coordination chemistry
Timco G.A., Carretta S., Troiani F., Tuna F., Pritchard R.J., Muryn C.A., McInnes E.J., Ghirri A., Candini A., Santini P., Amoretti G., Affronte M., Winpenny R.E.
Nature Nanotechnology, 2009
12.
Linking heterometallic rings for quantum information processing and amusement
Timco G.A., Faust T.B., Tuna F., Winpenny R.E.
Chemical Society Reviews, 2011
13.
10.1016/j.mencom.2016.09.020_bib0035
Frisch
Gaussian 09, Revision D.01, 2013
15.
Theoretical study of the mechanism of valence tautomerism in cobalt complexes.
Sato D., Shiota Y., Juhász G., Yoshizawa K.
Journal of Physical Chemistry A, 2010
16.
A Quantum Chemical Study of Bis-(iminoquinonephenolate) Zn(II) Complexes
Starikov A.G., Minkin V.I., Minyaev R.M., Koval V.V.
Journal of Physical Chemistry A, 2010
18.
A general algorithm for calculation of Heisenberg exchange integrals J in multispin systems
Shoji M., Koizumi K., Kitagawa Y., Kawakami T., Yamanaka S., Okumura M., Yamaguchi K.
Chemical Physics Letters, 2006
19.
10.1016/j.mencom.2016.09.020_bib0060
Ruiz
2013