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)
- Autores: Fukin G.1, Baranov E.1, Cherkasov A.1, Rumyantcev R.1, Kozlova E.1, Okhlopkova L.1, Poddel’sky A.1
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Afiliações:
- G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
- Edição: Volume 68, Nº 9 (2019)
- Páginas: 1650-1655
- Seção: Full Articles
- URL: https://journals.rcsi.science/1066-5285/article/view/243468
- DOI: https://doi.org/10.1007/s11172-019-2607-z
- ID: 243468
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Resumo
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.
Sobre autores
G. Fukin
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Autor responsável pela correspondência
Email: gera@iomc.ras.ru
Rússia, 49 ul. Tropinina, Nizhny Novgorod, 603650
E. Baranov
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Rússia, 49 ul. Tropinina, Nizhny Novgorod, 603650
A. Cherkasov
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Rússia, 49 ul. Tropinina, Nizhny Novgorod, 603650
R. Rumyantcev
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Rússia, 49 ul. Tropinina, Nizhny Novgorod, 603650
E. Kozlova
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Rússia, 49 ul. Tropinina, Nizhny Novgorod, 603650
L. Okhlopkova
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Rússia, 49 ul. Tropinina, Nizhny Novgorod, 603650
A. Poddel’sky
G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Sciences
Email: gera@iomc.ras.ru
Rússia, 49 ul. Tropinina, Nizhny Novgorod, 603650