Abstract: Molecular complexes of cesium hexafluoroacetylacetonate ((CF3COCHCOCF3)– = hfac) with 18-crown-6 ether (18C6) and ethylacetate (EtOAc) are synthesized for the first time: Cs2(hfac)2(18C6)3 (1) and Cs(hfac)(18C6)(EtOAc) (2). The compounds are characterized by IR spectroscopy, elemental analysis, and X-ray diffraction (XRD) of polycrystals. Their structures are determined by single crystal XRD. In binuclear complex 1, the Cs(hfac)(18C6) fragments are linked by bridging crown-ether. In both complexes, the Cs coordination number is 9 and is formed by oxygen atoms: 2 from the hfac anion, 6 from 18С6, and 1 from another 18C6 or EtOAc. Average Cs–O18C6 distances in the hexa-coordinated neutral ligand practically coincide (~3.18 Å) in the complexes; average Cs–Ohfac distances are 3.090 Å in 1, 3.069 Å in 2; chelate angles ∠O–Cs–O ≈ 57°. To study intermolecular interactions Hirshfeld surfaces are constructed: the shortest F…F 2.784 Å (1), F…H 2.628 Å (2) contacts are found. By the sublattice method the pseudo-periodicity of the structures is revealed. The arrangement of Cs+ cations can be considered within the pseudohexagonal and body centered cubic (bcc) cells for 1 and 2 respectively.

Cite: Kochelakov D.V. , Vikulova E.S. , Kuratieva N.V. , Gromilov S.A.
SYNTHESIS AND STRUCTURE OF TWO MOLECULAR COMPLEXES OF CESIUM HEXAFLUOROACETYLACETONATE WITH 18-CROWN-6 ETHER
Journal of Structural Chemistry. 2022. V.63. P.476–484. DOI: 10.1134/S0022476622030143 WOS Scopus OpenAlex

Original: Кочелаков Д.В. , Викулова Е.С. , Куратьева Н.В. , Громилов С.А.
Синтез и строение двух островных комплексов гексафторацетилацетоната цезия с 18-краун-6 эфиром
Журнал структурной химии. 2022. Т.63. №3. С.375-383. DOI: 10.26902/JSC_id89888 OpenAlex

Identifiers:

Web of science:	WOS:000809142800014
Scopus:	2-s2.0-85131737426
OpenAlex:	W4281961013

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