Email this article Dinuclear cobalt and iron complexes with azomethine derivative of 1,10-phenanthroline: quantum chemical study
- Authors: Starikova А.А.1, Chegerev M.G.1, Starikov A.G.1, Minkin V.I.1
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Affiliations:
- Institute of Physical and Organic Chemistry at Southern Federal University
- Issue: Vol 487, No 1 (2019)
- Pages: 36-40
- Section: Chemistry
- URL: https://journals.eco-vector.com/0869-5652/article/view/15374
- DOI: https://doi.org/10.31857/S0869-5652487136-40
- ID: 15374
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Abstract
Geometry, energy and magnetic characteristics of binuclear compounds of 5,6-bis(salicylideneimino)-1,10-phenanthroline with cobalt and iron have been computationally studied by means of density functional theory method (DFT UTPSSh/6-311++G(d, p)). Complexes comprising two magnetically active fragments capable of manifesting spin-crossover and valence tautomerism have been constructed via completion of the coordination sphere of the metal ions with ancillary ligands. These effects provide for variation of spin states in a wide range, which endows the studied compounds properties of molecular switches and spin qubits.
About the authors
А. А. Starikova
Institute of Physical and Organic Chemistry at Southern Federal University
Author for correspondence.
Email: alstar@ipoc.sfedu.ru
Russian Federation, 194/2, Stachka Ave., Rostov-on-Don, 344090
M. G. Chegerev
Institute of Physical and Organic Chemistry at Southern Federal University
Email: alstar@ipoc.sfedu.ru
Russian Federation, 194/2, Stachka Ave., Rostov-on-Don, 344090
A. G. Starikov
Institute of Physical and Organic Chemistry at Southern Federal University
Email: alstar@ipoc.sfedu.ru
Russian Federation, 194/2, Stachka Ave., Rostov-on-Don, 344090
V. I. Minkin
Institute of Physical and Organic Chemistry at Southern Federal University
Email: alstar@ipoc.sfedu.ru
Academician of the Russian Academy of Sciences
Russian Federation, 194/2, Stachka Ave., Rostov-on-Don, 344090References
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