Hybrid iodobismuthates code: adapting the geometry of Bi polyhedra to weak interactions

Hybrid iodobismuthates code: adapting the geometry of Bi polyhedra to weak interactions Научная публикация

Журнал

Mendeleev Communications
ISSN: 1364-551X , E-ISSN: 0959-9436

Вых. Данные

Год: 2021, Том: 31, Номер: 2, Страницы: 166-169 Страниц : 4 DOI: 10.1016/j.mencom.2021.03.007

Авторы

Kotov Vitalii Yu. ^1,2 , Buikin Petr A. ^3,4,1,2 , Ilyukhin Andrey B. ¹ , Korlyukov Alexander A. ³ , Ananyev Ivan V. ^3,2 , Gavrikov Andrey V. ¹ , Medvedev Michael G. ^5,2

Организации

1	N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation
2	National Research University Higher School of Economics, 101000 Moscow, Russian Federation
3	A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 119991 Moscow, Russian Federation
4	Higher Chemical College of the Russian Academy of Sciences, D. I. Mendeleev University of Chemical Technology of Russia, 125047 Moscow, Russian Federation
5	N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation

The crystal structure of the new iodobismuthate (PyPy)2(PyPyH)2Bi6I26 was found to consist of unusual hexanuclear [Bi6I26]6− anions containing the linear I42− unit, and the experimental Bi–I bond lengths in this anion were used to obtain the relationship between bond length and bond energy. A statistical analysis of 229 crystal structures of iodobismuthates, based on the quantum chemically estimated strength of Bi–I bonds, revealed that the total energy of the Bi3+ polyhedron remains virtually constant at 64 ± 2 kcal mol−1, regardless of its geometry within this family of materials. Thus, the polyhedron geometry flexibly adapts to the relatively weak interactions between iodobismuthate anions and embedded cations.

Kotov V.Y. , Buikin P.A. , Ilyukhin A.B. , Korlyukov A.A. , Ananyev I.V. , Gavrikov A.V. , Medvedev M.G.
Hybrid iodobismuthates code: adapting the geometry of Bi polyhedra to weak interactions
Mendeleev Communications. 2021. V.31. N2. P.166-169. DOI: 10.1016/j.mencom.2021.03.007 WOS Scopus OpenAlex

≡ Web of science:	WOS:000635839800008
≡ Scopus:	2-s2.0-85105353587
≡ OpenAlex:	W3145710921