A structural study of alkaline earth metal complexes with hybrid disila-crown ethers. Issue 27 (30th November 2016)

• Record Type: Journal Article
• Authors: Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten
• Is Part Of: Dalton transactions. Volume 46:Issue 27(2017)
• Page Start: 8727
• Page End: 8735
• Publication Date: 2016-11-30
• Subjects: Chemistry, Inorganic -- Periodicals; Chemistry, Physical and theoretical -- Periodicals; Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c6dt04018g
• Languages: English
• ISSNs: 1477-9226

Abstract

Abstract : A series of disila-crown ether complexes have been characterized by single crystal X-ray diffraction. The complex stability of different systems were studied by DFT calculations and proton NMR experiments. Abstract : Compounds consisting of [M(1, 2-disila-[3 n ]crown- n )] 2+ (M = Mg, Ca, Sr, Ba; n = 5, 6) and [Ba(1, 2-disila-benzo[18]crown-6)] 2+ cations and different anions were obtained by equimolar reaction of the hybrid disila-crown ethers 1, 2-disila[15]crown-5 (1 ), 1, 2-disila[18]crown-6 (2 ) and 1, 2-disila-benzo[18]crown-6 (7 ) with alkaline earth metal salts. Even with strongly coordinating anions such as Br − or I − stable complexes could be obtained, showing the good coordination ability of these ligands. The structures of all coordination compounds were determined via single crystal X-ray diffraction (XRD). By means of DFT calculations, the complexation ability of 1, 2-disila[15]crown-5 (1 ) towards magnesium bromide was determined to be considerably higher compared to [15]crown-5. The opposite case was observed in solution as the exchange of calcium cations between [18]crown-6 and 1, 2-disila[18]crown-6 (2 ) was studied via dynamic proton nuclear magnetic resonance (NMR) spectroscopy.