title: Metal ion interactions with sugars. The crystal structure and FT-IR study of the NdCl3-ribose complex.
abstract: The single-crystal structure of neodymium chloride-ribopyranose pentahydrate, NdCl3.C5H10O5.5H2O was determined to have Mr=490.80, a=9.138(11), b=8.830(10), c=9.811(11) A, beta=94.087(18) degrees, V=789.7(16) A3, P2(1), Z=2, mu=0.71073 A and R=0.0198 for 2075 observed reflections. The ligand of the title complex was observed in a disordered state and two molecular configurations of NdCl3.C5H10O5.5H2O were found in the single crystal as a pair of isomers. Both ligand moieties of the two molecules are ribopyranose forms, providing three hydroxyl groups in ax-eq-ax orientation for coordination. One ligand of the pair of isomers is beta-D-ribopyranose in the 1C4 conformation, and the other is alpha-D-ribopyranose in the 4C1 conformation. The Nd3+ ion is nine-coordinated with five Nd-O bonds from water molecules, three Nd-O bonds from hydroxyl groups of the ribopyranose and one Nd-Cl bond from chloride ion. The hydroxyl groups, water molecules, chloride ions form an extensive hydrogen-bond network. The IR spectral C-C,O-H,C-O and C-O-H vibrations were observed to be shifted in the complex and the IR results are in accordance with those of X-ray spectroscopy.
authors.affiliation: College of Chemistry, Nankai University, Tianjin 300071, PR China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Lu
authors.forename: Guocai
authors.initials: G
authors.lastname: Deng
authors.forename: Fangming
authors.initials: F
authors.lastname: Miao
authors.forename: Zhengming
authors.initials: Z
authors.lastname: Li
mesh_terms: D002236:Carbohydrate Conformation; D002241:Carbohydrates / Q000737:chemistry; D003460:Crystallization; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008670:Metals / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D008970:Molecular Weight; D009354:Neodymium / Q000737:chemistry*; D012266:Ribose / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D002241:Carbohydrates; D008670:Metals; C053739:neodymium chloride; D009354:Neodymium; D012266:Ribose