Синтез и исследование структуры несимметричного двуядерного комплекса дифторида бора

Abstract

A multi-ligand binuclear complex of boron difluoride was obtained in which two diketonate rings are connected by a sulfur atom through central carbon atoms (g). In the first cycle two methyl groups – the acetylacetonate fragment ( acac ) – are present as substituents; so are the methyl and phenyl groups – the benzoylacetonate fragment ( bzac ) – in the second cycle. The resulting complex has been characterized by IR and PMR spectroscopy and X-ray diffraction (XRD) methods. According to the X-ray diffraction data, the structure of the resulting complex follows the structure of aromatic sulfides. The interaction of substituents at β- and g-carbon atoms has been considered. 1 С 15 H 14 O 4 B 2 F 4 S, M 387.94, T 293(2) K, monoclinic, P 2 1 /c, a = 7.893(12), b = 23.41(4), c = 9.393(13) Å, a = 90°, b = 103.32(6)°, g = 90°, V = 1689(5) Å 3 , Z = 4, ρ = 1.525 g/сm 3 , µ = 0.252 mm –1 , F(000) = 792.0, crystal size 0.6×0.23×0.23 mm, 2q = 5.66-82.24°, index ranges –14 ≤ h ≤ 14, –36 ≤ k ≤ 36, –12 ≤ l ≤ 12, reflection collected 37642, independent reflections 6665, GOOD 1.320, parameters 238, R int = 0.0843, R 1 = 0.1198, wR 2 = 0.3542. Information on the structure of the obtained complex (tables of atom coordinates, bond lengths, and bond angles) was deposited at the Cambridge Structural Data Bank No. 1911543, deposit@ccdc.cam.ac.uk; http: //www.ccdc. cam.ac.uk).