Home / Publications / Experimental study of X-ray charge density and the selection of reference points for a source function in η6-(2-methyl-1,4-dihydro-2H-3,1-benzoxazine)tricarbonylchromium(0)

Experimental study of X-ray charge density and the selection of reference points for a source function in η6-(2-methyl-1,4-dihydro-2H-3,1-benzoxazine)tricarbonylchromium(0)

Georgy Konstantinovich Fukin 1
Georgy Konstantinovich Fukin
Anton Vladimirovich Cherkasov 1
Anton Vladimirovich Cherkasov
Roman Valeryevich Rumyantcev 1
Roman Valeryevich Rumyantcev
Natalia Yu Grishina 2
Natalia Yu Grishina
Elena Vasil'evna Sazonova 2
Elena Vasil'evna Sazonova
Alexander Nikolaevich Artemov 2
Alexander Nikolaevich Artemov
Adam Igarkovich Stash
Published 2019-04-26
CommunicationVolume 29, Issue 3, 346-348
10
Share
Cite this
GOST
 | 
Cite this
GOST Copy
Fukin G. K. et al. Experimental study of X-ray charge density and the selection of reference points for a source function in η6-(2-methyl-1,4-dihydro-2H-3,1-benzoxazine)tricarbonylchromium(0) // Mendeleev Communications. 2019. Vol. 29. No. 3. pp. 346-348.
GOST all authors (up to 50) Copy
Fukin G. K., Cherkasov A. V., Rumyantcev R. V., Grishina N. Yu., Sazonova E. V., Artemov A. N., Stash A. I. Experimental study of X-ray charge density and the selection of reference points for a source function in η6-(2-methyl-1,4-dihydro-2H-3,1-benzoxazine)tricarbonylchromium(0) // Mendeleev Communications. 2019. Vol. 29. No. 3. pp. 346-348.
RIS
 | 
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/j.mencom.2019.05.036
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.036
TI - Experimental study of X-ray charge density and the selection of reference points for a source function in η6-(2-methyl-1,4-dihydro-2H-3,1-benzoxazine)tricarbonylchromium(0)
T2 - Mendeleev Communications
AU - Fukin, Georgy Konstantinovich
AU - Cherkasov, Anton Vladimirovich
AU - Rumyantcev, Roman Valeryevich
AU - Grishina, Natalia Yu
AU - Sazonova, Elena Vasil'evna
AU - Artemov, Alexander Nikolaevich
AU - Stash, Adam Igarkovich
PY - 2019
DA - 2019/04/26
PB - Mendeleev Communications
SP - 346-348
IS - 3
VL - 29
ER -
BibTex
 | 
Cite this
BibTex (up to 50 authors) Copy
@article{2019_Fukin,
author = {Georgy Konstantinovich Fukin and Anton Vladimirovich Cherkasov and Roman Valeryevich Rumyantcev and Natalia Yu Grishina and Elena Vasil'evna Sazonova and Alexander Nikolaevich Artemov and Adam Igarkovich Stash},
title = {Experimental study of X-ray charge density and the selection of reference points for a source function in η6-(2-methyl-1,4-dihydro-2H-3,1-benzoxazine)tricarbonylchromium(0)},
journal = {Mendeleev Communications},
year = {2019},
volume = {29},
publisher = {Mendeleev Communications},
month = {Apr},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.036},
number = {3},
pages = {346--348},
doi = {10.1016/j.mencom.2019.05.036}
}
MLA
Cite this
MLA Copy
Fukin, Georgy Konstantinovich, et al. “Experimental study of X-ray charge density and the selection of reference points for a source function in η6-(2-methyl-1,4-dihydro-2H-3,1-benzoxazine)tricarbonylchromium(0).” Mendeleev Communications, vol. 29, no. 3, Apr. 2019, pp. 346-348. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2019.05.036.

Abstract

An approach based on the simultaneous use of a source function and a noncovalent interaction index for studying interatomic interactions in the absence of bond critical points is offered. This approach comprises the selection of reference points for the source function on the noncovalent interaction index isosurface.

References

1.
10.1016/j.mencom.2019.05.036_bib0005
Bader
Atoms in Molecules. A Quantum Theory, 1990
4.
On the incidence of non-covalent intramolecular interligand interactions on the conformation of carbene complexes: a case study
Lugan N., Fernández I., Brousses R., Valyaev D.A., Lavigne G., Ustynyuk N.A.
Dalton Transactions, 2013
6.
On the nature of Ni⋯Ni interaction in a model dimeric Ni complex
Kamiński R., Herbaczyńska B., Srebro M., Pietrzykowski A., Michalak A., Jerzykiewicz L.B., Woźniak K.
Physical Chemistry Chemical Physics, 2011
7.
Experimental Charge Density Analysis of Symmetrically Substituted Ferrocene Derivatives
Makal A.M., Plażuk D., Zakrzewski J., Misterkiewicz B., Woźniak K.
Inorganic Chemistry, 2010
8.
Charge Density Analysis of the (C−C)→Ti Agostic Interactions in a Titanacyclobutane Complex
Scheins S., Messerschmidt M., Gembicky M., Pitak M., Volkov A., Coppens P., Harvey B.G., Turpin G.C., Arif A.M., Ernst R.D.
Journal of the American Chemical Society, 2009
9.
A Green's function for the density
Bader R.F., Gatti C.
Chemical Physics Letters, 1998
10.
On the Interpretation of the Source Function
Farrugia L.J., Macchi P.
Journal of Physical Chemistry A, 2009
11.
10.1016/j.mencom.2019.05.036_bib0055
Gatti
2012
12.
Revealing Noncovalent Interactions
Johnson E.R., Keinan S., Mori-Sánchez P., Contreras-García J., Cohen A.J., Yang W.
Journal of the American Chemical Society, 2010
13.
NCIPLOT: A Program for Plotting Noncovalent Interaction Regions
Contreras-García J., Johnson E.R., Keinan S., Chaudret R., Piquemal J., Beratan D.N., Yang W.
Journal of Chemical Theory and Computation, 2011
15.
Crystal structure refinement withSHELXL
Sheldrick G.M.
Acta crystallographica. Section C, Structural chemistry, 2015
16.
SCALE3 ABSPACK: Empirical Absorption Correction, CrysAlisPro – Software Package, Agilent Technologies, Yarnton, UK, 2012.
17.
Testing aspherical atom refinements on small-molecule data sets
Hansen N.K., Coppens P.
Acta Crystallographica Section A, 1978
18.
Advances in protein and small-molecule charge-density refinement methods usingMoPro
Jelsch C., Guillot B., Lagoutte A., Lecomte C.
Journal of Applied Crystallography, 2005
19.
10.1016/j.mencom.2019.05.036_bib0095
Allen
J. Chem. Soc., Perkin Trans., 1987
22.
The synthesis of new 1,3-oxazolidines and 1,3-oxazinanes containing (η6-arene)tricarbonylchromium group based on condensation between aldehydes and amino alcohols
Artemov A.N., Sazonova E.V., Krylova N.A., Zvereva E.A., Pechen N.A., Fukin G.K., Cherkasov A.V., Faerman V.I., Grishina N.Y.
Russian Chemical Bulletin, 2018
23.
Experimental and Theoretical AIM and NCI Index Study of Substituted Arene Tricarbonyl Complexes of Chromium(0)
24.
Redetermination of the experimental electron deformation density of (benzene)tricarbonylchromium
Wang Y., Angermund K., Goddard R., Krueger C.
Journal of the American Chemical Society, 1987
26.
Description of conjugation and hyperconjugation in terms of electron distributions
Bader R.F., Slee T.S., Cremer D., Kraka E.
Journal of the American Chemical Society, 1983