Formation of Oligo-Nuclear Carboxylate Nickel(II) Complexes with Nitrogen-Containing Ligands. Quantum-Chemical Simulation
N. S. Panina
1
,
A. A. Nikiforov
1, 2
,
D. O. Blinou
1
,
E. N. Dubrov
1
,
A. I. Ponyaev
1
,
A. V. Eremin
3
,
A. N. Belyaev
1
1
2
Publication type: Journal Article
Publication date: 2019-11-01
scimago Q4
wos Q4
SJR: 0.179
CiteScore: 1.4
Impact factor: 0.8
ISSN: 10703632, 16083350
General Chemistry
Abstract
Using the DFT method PBE0/6-31G(d, p) and taking into account the solvent, the formation of bi- and pentahedral Ni(II) complexes with carboxylate and N-containing ligands in the gas phase was studied, and ΔG° of their formation from simple compounds was estimated. The functional role of bridging groups and hydrogen bonds in the formation of polynuclear structures was revealed. A model of self-organization of penta-nuclear coordination compounds [NiII5(O2CR)8L2n(μ-OH)2]0 from binuclear complex [NiII2(O2CR)4Ln(μ-H2O)]0 was proposed, into the structure of which mononuclear NiII cations are embedding and promote proton transfer from bridging aqua ligands.
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Panina N. S. et al. Formation of Oligo-Nuclear Carboxylate Nickel(II) Complexes with Nitrogen-Containing Ligands. Quantum-Chemical Simulation // Russian Journal of General Chemistry. 2019. Vol. 89. No. 11. pp. 2264-2272.
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Panina N. S., Nikiforov A. A., Blinou D. O., Dubrov E. N., Ponyaev A. I., Eremin A. V., Belyaev A. N. Formation of Oligo-Nuclear Carboxylate Nickel(II) Complexes with Nitrogen-Containing Ligands. Quantum-Chemical Simulation // Russian Journal of General Chemistry. 2019. Vol. 89. No. 11. pp. 2264-2272.
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TY - JOUR
DO - 10.1134/S1070363219110173
UR - https://doi.org/10.1134/S1070363219110173
TI - Formation of Oligo-Nuclear Carboxylate Nickel(II) Complexes with Nitrogen-Containing Ligands. Quantum-Chemical Simulation
T2 - Russian Journal of General Chemistry
AU - Panina, N. S.
AU - Nikiforov, A. A.
AU - Blinou, D. O.
AU - Dubrov, E. N.
AU - Ponyaev, A. I.
AU - Eremin, A. V.
AU - Belyaev, A. N.
PY - 2019
DA - 2019/11/01
PB - Pleiades Publishing
SP - 2264-2272
IS - 11
VL - 89
SN - 1070-3632
SN - 1608-3350
ER -
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@article{2019_Panina,
author = {N. S. Panina and A. A. Nikiforov and D. O. Blinou and E. N. Dubrov and A. I. Ponyaev and A. V. Eremin and A. N. Belyaev},
title = {Formation of Oligo-Nuclear Carboxylate Nickel(II) Complexes with Nitrogen-Containing Ligands. Quantum-Chemical Simulation},
journal = {Russian Journal of General Chemistry},
year = {2019},
volume = {89},
publisher = {Pleiades Publishing},
month = {nov},
url = {https://doi.org/10.1134/S1070363219110173},
number = {11},
pages = {2264--2272},
doi = {10.1134/S1070363219110173}
}
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MLA
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Panina, N. S., et al. “Formation of Oligo-Nuclear Carboxylate Nickel(II) Complexes with Nitrogen-Containing Ligands. Quantum-Chemical Simulation.” Russian Journal of General Chemistry, vol. 89, no. 11, Nov. 2019, pp. 2264-2272. https://doi.org/10.1134/S1070363219110173.
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