Abstract:
The first insight into the nature of intramolecular interactions in the CaII–CuII alanine hydroximate metallacrowns is provided on the basis of the invariom refinement and DFT calculations.
Keywords:
metallacrown, alanine hydroximate, calcium(II), copper(II), X-ray diffraction, Experimental-theoretical and theoretical electron density.
Citation:
R. V. Rumyantcev, G. Yu. Zhigulin, G. S. Zabrodina, M. A. Katkova, S. Yu. Ketkov, G. K. Fukin, “Electron density topology in CaII–CuII alanine hydroximate metallacrowns: crystal invariom vs DFT calculation”, Mendeleev Commun., 33:1 (2023), 41–44
Linking options:
https://www.mathnet.ru/eng/mendc301
https://www.mathnet.ru/eng/mendc/v33/i1/p41
This publication is cited in the following 7 articles:
G. Yu. Zhigulin, “Electronic Structures of Alaninehydroximate 15-Metallacrowns-5 with Lanthanum(III), Cerium(III), and Praseodymium(III) Ions”, J Struct Chem, 65:9 (2024), 1757
Michael P. Bubnov, Alexey A. Zolotukhin, Georgy K. Fukin, Roman V. Rumyantcev, Artem S. Bogomyakov, “Valence tautomeric interconversion of bis-dioxolene cobalt complex with imino-pyridine functionalized by TEMPO moiety in solid solutions with isostructural nickel analogue: phase transitions and monocrystal destruction”, Dalton Trans., 53:21 (2024), 9151
M. A. Baten'kin, N. D. Anisimova, M. Yu. Zakharina, G. S. Zabrodina, M. A. Katkova, S. A. Chesnokov, “Ion-Induced Gelation of Alginate in the Presence of Alanine Hydroximate Metallacrowns of Sr(II), Sa(II), and La(III)”, Polym. Sci. Ser. A, 66:2 (2024), 169
V. V. Sushev, N. V. Zolotareva, M. D. Grishin, R. V. Rumyantcev, G. K. Fukin, A. N. Kornev, “Influence of Noncovalent Se∙∙∙Se, N∙∙∙P, and Se∙∙∙H Interactions on the Structures of 1,4-Bis(phenylselenyl)-3a,6a-diaza-1,4-diphosphapentalene in Crystal and Solution”, Russ J Coord Chem, 50:10 (2024), 827
M. A. Batenkin, N. D. Anisimova, M. Yu. Zakharina, G. S. Zabrodina, M. A. Katkova, S. A. Chesnokov, “Ionno-indutsirovannoe geleobrazovanie alginata v prisutstvii alaningidroksimatnykh metallakraunov Sr(II), Sa(II) I La(III)”, Polymer Science, Series A, 66:3 (2024), 181
I. V. Polyakov, K. D. Miroshnichenko, T. I. Mulashkina, A. A. Moskovsky, E. I. Marchenko, M. G. Khrenova, “Towards accurate machine learning predictions of properties
of the P–O bond cleaving in ATP upon enzymatic hydrolysis”, Mendeleev Commun., 34:6 (2024), 776–779
R. V. Rumyantcev, M. A. Katkova, G. S. Zabrodina, G. K. Fukin, S. Yu. Ketkov, “Structural Characterization of Polynuclear Copper-Calcium Metallamacrocyclic Complexes”, Russ J Gen Chem, 93:S3 (2023), S748
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