Intermolecular Interactions in Crystals of the Photosensitive Coordination Compounds of Zinc(II)
- Autores: Vologzhanina A.V.1, Zorina-Tikhonova E.N.2, Chistyakov A.S.2, Sidorov A.A.2, Korlyukov A.A.1, Eremenko I.L.1,2
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Afiliações:
- Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences
- Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
- Edição: Volume 44, Nº 12 (2018)
- Páginas: 733-737
- Seção: Article
- URL: https://journals.rcsi.science/1070-3284/article/view/214215
- DOI: https://doi.org/10.1134/S1070328418100111
- ID: 214215
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Resumo
The distribution of the electron density function in crystals of {[ZnBpe(Me2Mal)] · H2O}n (I) and [Zn(H2O)4Bpe2](HEt2Mal)2 (II) is obtained by the periodic DFT calculations. Under UV irradiation, compounds I and II transform into [Zn(Bpe)(Me2Mal)]2[Zn2(Тpcb)(Me2Mal)2] · H2O and {[Zn(H2O)4(Bpe)2]0.15[Zn(H2O)4(Tpcb)]0.85(HEt2mMal)4} (Bpe is 1,2-bis(4-pyridine)ethylene, Тpcb is 1,2,3,4-tetrakis(4-pyridine)cyclobutane, H2Me2Mal is dimethylmalonic acid, and H2Et2Mal is diethylmalonic acid), respectively. An analysis of intermolecular contacts using Bader’s “Atoms-in-Molecules” theory shows the bonding route and bond critical point between the carbon atoms of the adjacent 1,2-bis(4-pyridine)ethylene molecules. It is established that the common surface of the Voronoi–Dirichlet molecular polyhedra between the photosensitive fragments can serve as a criterion for the possible participation of the molecules in solid-phase photoinduced reactions.
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Sobre autores
A. Vologzhanina
Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences
Autor responsável pela correspondência
Email: vologzhanina@mail.ru
Rússia, Moscow, 119991
E. Zorina-Tikhonova
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vologzhanina@mail.ru
Rússia, Moscow, 119991
A. Chistyakov
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vologzhanina@mail.ru
Rússia, Moscow, 119991
A. Sidorov
Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vologzhanina@mail.ru
Rússia, Moscow, 119991
A. Korlyukov
Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences
Email: vologzhanina@mail.ru
Rússia, Moscow, 119991
I. Eremenko
Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences; Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Email: vologzhanina@mail.ru
Rússia, Moscow, 119991; Moscow, 119991
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