Experimental and experimental-theoretical topological characteristics of the electron density distribution in the crystal of NCN-(2-pyridinecarbonitrile)-(3,6-di-tert-butylcatecholato)triphenylantimony(v)
- Authors: Fukin G.K.1, Baranov E.V.1, Cherkasov A.V.1, Rumyantcev R.V.1, Kozlova E.A.1, Okhlopkova L.S.1, Poddel’sky A.I.1
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Affiliations:
- G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
- Issue: Vol 68, No 9 (2019)
- Pages: 1650-1655
- Section: Full Articles
- URL: https://journals.rcsi.science/1066-5285/article/view/243468
- DOI: https://doi.org/10.1007/s11172-019-2607-z
- ID: 243468
Cite item
Abstract
Experimental and experimental-theoretical studies (the invariom approach, whole-molecule aspherical scattering factors) of the electron density distribution were carried out to compare its topological characteristics at the critical points (3, −1) of the NCN-(2-pyridinecarbonitrile)-(3,6-di-tert-butylcatecholato)triphenylantimony(v) complex. The topological characteristics of the electron density distribution at the critical points (3, −1) and the atomic volumes determined in experimental studies are almost in quantitative agreement with the results of experimental-theoretical investigation.
About the authors
G. K. Fukin
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Author for correspondence.
Email: gera@iomc.ras.ru
Russian Federation, 49 ul. Tropinina, Nizhny Novgorod, 603650
E. V. Baranov
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Russian Federation, 49 ul. Tropinina, Nizhny Novgorod, 603650
A. V. Cherkasov
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Russian Federation, 49 ul. Tropinina, Nizhny Novgorod, 603650
R. V. Rumyantcev
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Russian Federation, 49 ul. Tropinina, Nizhny Novgorod, 603650
E. A. Kozlova
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Russian Federation, 49 ul. Tropinina, Nizhny Novgorod, 603650
L. S. Okhlopkova
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Russian Federation, 49 ul. Tropinina, Nizhny Novgorod, 603650
A. I. Poddel’sky
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Russian Federation, 49 ul. Tropinina, Nizhny Novgorod, 603650