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Molecular design of the valence tautomeric mixed-ligand adducts of CoII diketonates with redox-active ligands

Vladimir Isaakovich Minkin 1, 2
Vladimir Isaakovich Minkin
, 
Alena Andreevna Starikova 1
Alena Andreevna Starikova
10.1016/j.mencom.2015.03.002
Published 2015-03-06
Focus article , Volume 25, Issue 2, 83-92
42
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Minkin V. I., Starikova A. A. Molecular design of the valence tautomeric mixed-ligand adducts of CoII diketonates with redox-active ligands // Mendeleev Communications. 2015. Vol. 25. No. 2. pp. 83-92.
GOST all authors (up to 50) Copy
Minkin V. I., Starikova A. A. Molecular design of the valence tautomeric mixed-ligand adducts of CoII diketonates with redox-active ligands // Mendeleev Communications. 2015. Vol. 25. No. 2. pp. 83-92.
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TY - JOUR
DO - 10.1016/j.mencom.2015.03.002
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2015.03.002
TI - Molecular design of the valence tautomeric mixed-ligand adducts of CoII diketonates with redox-active ligands
T2 - Mendeleev Communications
AU - Minkin, Vladimir Isaakovich
AU - Starikova, Alena Andreevna
PY - 2015
DA - 2015/03/06
PB - Mendeleev Communications
SP - 83-92
IS - 2
VL - 25
ER -
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@article{2015_Minkin,
author = {Vladimir Isaakovich Minkin and Alena Andreevna Starikova},
title = {Molecular design of the valence tautomeric mixed-ligand adducts of CoII diketonates with redox-active ligands},
journal = {Mendeleev Communications},
year = {2015},
volume = {25},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2015.03.002},
number = {2},
pages = {83--92},
doi = {10.1016/j.mencom.2015.03.002}
}
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Minkin, Vladimir Isaakovich, and Alena Andreevna Starikova. “Molecular design of the valence tautomeric mixed-ligand adducts of CoII diketonates with redox-active ligands.” Mendeleev Communications, vol. 25, no. 2, Mar. 2015, pp. 83-92. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2015.03.002.
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Abstract

A new concept of the structural design of valence tautomeric (VT) systems involves a search for stable adducts of tetracoordinate transition metal complexes with bidentate redox-active ligands that meet the conditions of appropriate energy gaps and energy barriers between the electromeric forms of the complexes. A series of prospective VT systems has been found out based on the DFT/B3LYP*/ 6-311++G(d,p) theoretical modeling of their structures and properties. Intramolecular electron transfer between metal and ligand centers in the dinuclear VT 2:1 adducts of CoII diketonates and redox-active tetradentate di-o-quinones is proposed as a new promising mechanistic paradigm for the design of 2-qubit molecular systems.

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