An Icosidodecahedral Supramolecule Based on Pentaphosphaferrocene: From a Disordered Average Structure to Individual Isomers

An Icosidodecahedral Supramolecule Based on Pentaphosphaferrocene: From a Disordered Average Structure to Individual Isomers Full article

Journal

Angewandte Chemie International Edition
ISSN: 1433-7851 , E-ISSN: 1521-3773

Output data

Year: 2017, Volume: 56, Number: 43, Pages: 13237-13243 Pages count : 7 DOI: 10.1002/anie.201706756

Authors

Heindl Claudia ¹ , Peresypkina Eugenia ² , Virovets Alexander V. ² , Bushmarinov Ivan S. ³ , Medvedev Michael G. ^3,4 , Krämer Barbara ¹ , Dittrich Birger ⁵ , Scheer Manfred ¹

Affiliations

1	Institute of Inorganic Chemistry; Universität Regensburg; 93040 Regensburg Germany
2	Nikolaev Institute of Inorganic Chemistry, Siberian Division of RAS, Novosibirsk, Russia
3	A. N. Nesmeyanov Institute of Organoelement Compounds RAS, Moscow, Russia
4	N.D. Zelinsky Institute of Organic Chemistry RAS, Moscow, Russia
5	Institute of Inorganic Chemistry and Structural Chemistry; Heinrich-Heine-Universität Düsseldorf; Germany

Pentaphosphaferrocenes [CpRFe(η5-P5)] (1) and CuI halides are excellent building blocks for the formation of discrete supramolecules. Herein, we demonstrate the potential of Cu(CF3SO3) for the construction of the novel 2D polymer [{Cp*Fe(μ4,η5:1:1:1-P5)}{Cu(CF3SO3)}]n (2) and the unprecedented nanosphere (CH2Cl2)1.4@[{CpBnFe(η5-P5)}12{Cu(CF3SO3)}19.6] (3). The supramolecule 3 has a unique scaffold beyond the fullerene topology, with 20 copper atoms statistically distributed over the 30 vertices of an icosidodecahedron. Combinatorics was used to interpret the average disordered structure of the supramolecules. In this case, only two pairs of enantiomers with D5 and D2 symmetry are possible for bidentate bridging coordination of the triflate ligands. DFT calculations showed that differences in the energies of the isomers are negligible. The benzyl ligands enhance the solubility of 3, enabling NMR-spectroscopic and mass-spectrometric investigations.

Heindl C. , Peresypkina E. , Virovets A.V. , Bushmarinov I.S. , Medvedev M.G. , Krämer B. , Dittrich B. , Scheer M.
An Icosidodecahedral Supramolecule Based on Pentaphosphaferrocene: From a Disordered Average Structure to Individual Isomers
Angewandte Chemie International Edition. 2017. V.56. N43. P.13237-13243. DOI: 10.1002/anie.201706756 WOS Scopus OpenAlex

≡ Web of science:	WOS:000412755200007
≡ Scopus:	2-s2.0-85031123417
≡ OpenAlex:	W2744900908