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

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

Georgy Konstantinovich Fukin 1
Georgy Konstantinovich Fukin
, 
Anton Vladimirovich Cherkasov 1
Anton Vladimirovich Cherkasov
10.1016/j.mencom.2021.03.012
Published 2021-03-03
Communication , Volume 31, Issue 2, 182-184
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Fukin G. K., Cherkasov A. V. Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η6-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0) // Mendeleev Communications. 2021. Vol. 31. No. 2. pp. 182-184.
GOST all authors (up to 50) Copy
Fukin G. K., Cherkasov A. V. Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η6-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0) // Mendeleev Communications. 2021. Vol. 31. No. 2. pp. 182-184.
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TY - JOUR
DO - 10.1016/j.mencom.2021.03.012
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.03.012
TI - Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η6-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0)
T2 - Mendeleev Communications
AU - Fukin, Georgy Konstantinovich
AU - Cherkasov, Anton Vladimirovich
PY - 2021
DA - 2021/03/03
PB - Mendeleev Communications
SP - 182-184
IS - 2
VL - 31
ER -
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@article{2021_Fukin,
author = {Georgy Konstantinovich Fukin and Anton Vladimirovich Cherkasov},
title = {Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η6-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0)},
journal = {Mendeleev Communications},
year = {2021},
volume = {31},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.03.012},
number = {2},
pages = {182--184},
doi = {10.1016/j.mencom.2021.03.012}
}
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Fukin, Georgy Konstantinovich, and Anton Vladimirovich Cherkasov. “Experimental, experimental–theoretical and theoretical estimates of intermolecular interaction energies in η6-[(5-methyl-1,3-oxazolidin-3-yl)benzene]tricarbonylchromium(0).” Mendeleev Communications, vol. 31, no. 2, Mar. 2021, pp. 182-184. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2021.03.012.

Keywords

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

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.

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