title: Reactivity of 2-pyridinecarboxylic esters with cadmium(II) halides: study of (113)Cd NMR solid state spectra and crystal structures of hexacoordinated complexes [CdI(2)(C(5)H(4)NCOOMe)(2)] and [CdI(2)(C(5)H(4)NCOOPr(n))(2)].
abstract: The series of complexes [CdX(2)(C(5)H(4)NCOOR)] (X = Cl or Br; R = Me, Et, Pr(n)() or Pr(i)()) and [CdX(2)(C(5)H(4)NCOOR)(2)] (X = I; R = Me, Et, Pr(n)(), or Pr(i)()) have been obtained by the addition reaction of esters of 2-pyridinecarboxylic acid to cadmium(II) halides. X-ray crystal structures of two complexes [CdI(2)(C(5)H(4)NCOOR)(2)], R = Me (10) and R = Pr(n)() (12), have been determined. In both cases, the structure consists of discrete neutral monomeric units where the cadmium atom has a distorted octahedral coordination with CdI(2)N(2)O(2) core, two halides being in cis disposition. Structural information is compared with that deduced from (113)Cd CPMAS NMR experiments. Chemical shift anisotropies are discussed in terms of distortions produced in cadmium octahedra. The orientation of the principal axes of (113)Cd shielding tensor is also analyzed and related to the disposition of ligands in the structures of two analyzed compounds.
authors: Departament de Química, Unitat de Química Inorgànica, Universitat Autònoma de Barcelona, 08193-Bellaterra, Barcelona, Spain.
authors: Ricard
authors: R
authors: March
authors: Josefina
authors: J
authors: Pons
authors: Josep
authors: J
authors: Ros
authors: William
authors: W
authors: Clegg
authors: Angel
authors: A
authors: Alvarez-Larena
authors: Joan Francesc
authors: JF
authors: Piniella
authors: Jesus
authors: J
authors: Sanz
mesh_terms: D040761:Biomimetic Materials / Q000737:chemistry; D002104:Cadmium / Q000737:chemistry*; D002264:Carboxylic Acids / Q000737:chemistry*; D018360:Crystallography, X-Ray; D007554:Isotopes; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D008667:Metalloproteins / Q000737:chemistry; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D011725:Pyridines / Q000737:chemistry*
chemical_list: D002264:Carboxylic Acids; D007554:Isotopes; D008667:Metalloproteins; D009942:Organometallic Compounds; D011725:Pyridines; D002104:Cadmium