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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 11 scientific papers (total in 11 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
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.
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
Linking options:
  • https://www.mathnet.ru/eng/mendc872
  • https://www.mathnet.ru/eng/mendc/v31/i2/p182
  • This publication is cited in the following 11 articles:
    1. S. V. Baryshnikova, M. V. Arsen'ev, N. O. Druzhkov, G. K. Fukin, E. V. Baranov, A. V. Piskunov, “Redox-Active Tin(IV) Complexes Based on Sterically Hindered Catecholate Ligands”, Russ J Coord Chem, 50:1 (2024), 49  crossref
    2. 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  crossref
    3. 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  crossref
    4. S. V. Baryshnikova, M. V. Arsen'eva, N. O. Druzhkov, G. K. Fukin, E. V. Baranov, A. V. Piskunov, “Redox-Active Tin(IV) Complexes Based on Sterically Hindered Catecholate Ligands”, Koordinacionnaâ himiâ, 50:2 (2024), 100  crossref
    5. T. V. Balashova, S. K. Polyakova, A. A. Fagin, V. A. Ilichev, K. A. Kozhanov, E. V. Baranov, G. K. Fukin, M. N. Bochkarev, “The First Perylene Complexes of Neodymium and Dysprosium”, Russ J Coord Chem, 49:5 (2023), 257  crossref  crossref
    6. Vasily A. Ilichev, Anton F. Rogozhin, Alyona V. Belyakova, Anton V. Rozhkov, Artem N. Yablonskiy, Roman V. Rumyantcev, Ekaterina A. Kozlova, Georgy K. Fukin, Mikhail N. Bochkarev, “Structural and Luminescent Features of Lanthanide Ate Complexes with Polychlorinated 2-Mercaptobenzothiazolate Ligands”, Organometallics, 42:19 (2023), 2792  crossref
    7. Vasily A. Ilichev, Anton F. Rogozhin, Roman V. Rumyantcev, Ekaterina A. Kozlova, Georgy K. Fukin, Artem N. Yablonskiy, Boris A. Andreev, Mikhail N. Bochkarev, “Lanthanide Coordination Polymers with Soft-Base Ditopic Bisthiazolate Ligands”, Inorg. Chem., 62:32 (2023), 12625  crossref
    8. V. V. Sushev, A. V. Khristolyubova, N. V. Zolotareva, M. D. Grishin, Yu. S. Panova, R. V. Rumyantcev, G. K. Fukin, A. N. Kornev, “2,3,5,6-Tetramethyl-1H,4H-3a,6a-diaza-1,4-diphosphapentalene and Its 1,4-Dichloro Derivative: Specifics of Synthetic Approaches”, Russ J Gen Chem, 93:8 (2023), 2011  crossref  crossref
    9. 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  mathnet  crossref
    10. Tatiana S. Pochekutova, Georgy K. Fukin, Evgeny V. Baranov, Boris I. Petrov, Nikolay M. Lazarev, Vyacheslav K. Khamylov, “Influence of pseudo-polymorphism on the structure and thermal behavior of the new barium β-diketonate complexes [Ba(adtfa)2(18-crown-6)] and [Ba(adtfa)2(18-crown-6)](CDCl3)2”, Inorganica Chimica Acta, 531 (2022), 120734  crossref
    11. G. K. Fukin, A. V. Cherkasov, R. V. Rumyantcev, “Decision problem with high residual electron density on the metal atom”, Mendeleev Commun., 32:2 (2022), 202–204  mathnet  crossref
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
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