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., 2023, Volume 33, Issue 1,Pages 41

This article is cited in 7 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

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.

Language: English

DOI: 10.1016/j.mencom.2023.01.012

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