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

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Mendeleev Communications, 2023, Volume 33, Issue 1, Pages 41–44
DOI: https://doi.org/10.1016/j.mencom.2023.01.012 (Mi mendc301)

This article is cited in 9 scientific papers (total in 9 papers)

Communications

Electron density topology in Ca^II–Cu^II alanine hydroximate metallacrowns: crystal invariom vs DFT calculation

R. V. Rumyantcev, G. Yu. Zhigulin, G. S. Zabrodina, M. A. Katkova, S. Yu. Ketkov, G. K. Fukin

G.A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences, Nizhnii Novgorod, Russian Federation

Full-text PDF (726 kB) Citations (9) Supplementary materials

DOI: https://doi.org/10.1016/j.mencom.2023.01.012

Graphic abstract: Electron density topology in Ca<sup>II</sup>–Cu<sup>II</sup> alanine hydroximate metallacrowns: crystal invariom <i>vs</i> DFT calculation

Abstract: The first insight into the nature of intramolecular interactions in the Ca^II–Cu^II 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.

Bibliographic databases:

Document Type: Article

Language: English

*Supplementary materials:*
		Supplementary_data_1.pdf	(1.9 Mb)

Citation: R. V. Rumyantcev, G. Yu. Zhigulin, G. S. Zabrodina, M. A. Katkova, S. Yu. Ketkov, G. K. Fukin, “Electron density topology in Ca^II–Cu^II alanine hydroximate metallacrowns: crystal invariom vs DFT calculation”, Mendeleev Commun., 33:1 (2023), 41–44

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https://www.mathnet.ru/eng/mendc/v33/i1/p41

This publication is cited in the following 9 articles:

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