A solid-state Cs-133 nuclear magnetic resonance and X-ray crystallographicstudy of cesium complexes with macrocyclic ligands

We report solid-state NMR determination of the Cs-133 chemical shift anisot ropy (CSA) for a series of cesium complexes with macrocyclic ligands. It wa s found that the isotropic Cs-133 chemical shifts are related to the number of oxygen atoms to which the Cs+ ion is coordinated. The Cs-133 chemical s hifts were found to correlate with average Cs-O distances. We also attempt to use the established correlation to deduce Cs+ coordination environment f or compounds with unknown structures. We also report the X-ray determinatio n of the crystal structure for Cs(DB18C6)(2)SCN . 1/2CH(3)OHo1/2H(2)O. The compound crystallizes in monoclinic, a = 14.503(2), b = 15.152(3), c = 39.9 89(6) A, beta = 90.796(8) degrees, space group P2(1)/c, Z = 8. There are tw o independent molecules in the asymmetric unit cell where each of the two C s+ ions is coordinated to two DB18C6 ligand molecules forming a sandwich-ty pe structure.