G. K. Fukin, A. V. Cherkasov, “Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η6-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0)”, Mendeleev Commun., 31:2 (2021), 182

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Mendeleev Communications, 2021, Volume 31, Issue 2, Pages 182–184
DOI: https://doi.org/10.1016/j.mencom.2021.03.012 (Mi mendc872)

This article is cited in 14 scientific papers (total in 14 papers)

Communications

Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η₆-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0)

G. K. Fukin, A. V. Cherkasov

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

Full-text PDF (760 kB) Citations (14) Supplementary materials

DOI: https://doi.org/10.1016/j.mencom.2021.03.012

Graphic abstract: Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η<sub>6</sub>-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0)

Abstract: The electron density distribution based on a whole-molecule aspherical scattering factor (molecular invariom) and an asymmetric unit-cell aspherical scattering factor (crystal invariom) allows us to analyze both intramolecular and intermolecular interactions in a crystal with sufficient accuracy.

Keywords: high-resolution X-ray diffraction, charge density, periodical DFT calculation, (η₆-arene)tricarbonylchromium.

Bibliographic databases:

Document Type: Article

Language: English

*Supplementary materials:*
		Supplementary_data_1.pdf	(1.0 Mb)

Citation: G. K. Fukin, A. V. Cherkasov, “Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η₆-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0)”, Mendeleev Commun., 31:2 (2021), 182–184

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This publication is cited in the following 14 articles:

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