Эта публикация цитируется в 4 научных статьях (всего в 4 статьях)
Theoretical modeling of the molecular and crystal structures and a square-planar to tetrahedral conformational rearrangement of trans-planar bis(N-methylsalicylaldiminato)nickel(II)
Аннотация:
The DFT B3LYP/6-311++g(d,p)/6-31g(d,p) calculations performed on bis(N-methylsalicylaldiminato)nickel(II), its isomers and clusters containing up to ten molecules of the complex have shown that the metal chelate rings are intrinsically planar and their step-like distortion observed in the solid state is caused by the factors relevant to the crystal packing conditions.
Ключевые слова:
transition metal complexes, step-like distortion, DFT calculations.
Тип публикации:
Статья
Язык публикации: английский
Образец цитирования:
A. G. Starikov, R. M. Minyaev, V. I. Minkin, “Theoretical modeling of the molecular and crystal structures and a square-planar to tetrahedral conformational rearrangement of trans-planar bis(N-methylsalicylaldiminato)nickel(II)”, Mendeleev Commun., 19:2 (2009), 64–66
Образцы ссылок на эту страницу:
https://www.mathnet.ru/rus/mendc3119
https://www.mathnet.ru/rus/mendc/v19/i2/p64
Эта публикация цитируется в следующих 4 статьяx:
N. N. Kharabayev, V. I. Minkin, “Competition of Thermodynamic and Kinetic Factors during the Formation of Stereoisomers of the Bis(chelate) Ni(II) Complexes Based on (N,O(S,Se))-Bidentate Azomethines: A Quantum Chemical Study”, Russ J Coord Chem, 48:12 (2022), 765
Ruslan M. Minyaev, Andrey G. Starikov, Vladimir I. Minkin, “Supermolecular design: From molecules to solid states”, Int J of Quantum Chemistry, 116:4 (2016), 259
Alyona A. Starikova, Ruslan M. Minyaev, Andrey G. Starikov, Vladimir I. Minkin, “DFT Computational Design of a Ligand‐Driven Light‐Induced Mechanism for Spin‐State Switching”, Eur J Inorg Chem, 2013:24 (2013), 4203
A. D. Garnovskii, A. S. Burlov, I. S. Vasil'chenko, D. A. Garnovskii, A. I. Uraev, E. V. Sennikova, “Molecular design of azomethine complexes”, Russ J Coord Chem, 36:2 (2010), 81
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