Crystal and solution structure of a pendant-armed macrocyclic complex of palladium(II)

Abstract

[Traduit par la RCdaction]

Geometrical Characteristics and Atomic Charge Variations of Pd(II) Complexes [Pd(L)Cl2] with an Axial (Pd·O) Interaction

“…Geometrical structures of 1-oxa-4,7-dithiacyclononane ( [9] According to arrangement of the oxygen and sulfur atoms on the oxathia macrocyclic ligand, the structures of the ligands are divided as two groups by exo-and endo-oriented conformers. In exooriented conformer, an oxygen atom on the ligands is directing towards the opposite direction against two sulfur atoms, while, in endo-oriented conformer, the oxygen atom is directing towards the same direction.…”

“…In exooriented conformer, an oxygen atom on the ligands is directing towards the opposite direction against two sulfur atoms, while, in endo-oriented conformer, the oxygen atom is directing towards the same direction. The geometrical structure of [9]aneS 2 O is formed by a 9-membered cyclic chain consisting of three ethylene units, two sulfur atoms, and an oxygen atom. The structure of exo- [9]aneS2O can be a bidentate macrocyclic ligand by two sulfur atoms.…”

“…The geometrical structure of [9]aneS 2 O is formed by a 9-membered cyclic chain consisting of three ethylene units, two sulfur atoms, and an oxygen atom. The structure of exo- [9]aneS2O can be a bidentate macrocyclic ligand by two sulfur atoms. Meanwhile, the structure of endo- [9]aneS2O can be a kind of tridentate macrocyclic ligand.…”

“…The equilibrium geometrical structures of 1-oxa-4,7-dithiacyclononane ( [9] 2 were optimized with the second-order Möller-Plesset (MP2) level using the Gaussian 98. 22 To confirm the existence of the stable structures, the harmonic vibrational frequencies of the species have been analyzed at the Hartree-Fock (H-F) level.…”

“…[8][9][10] By the additional donor sites within the macrocyclic ligands, the square planar structure of the Pd complexes gives a kind of five coordinate complex. The distance (2.92 Å) of the axial (PdÎS) interaction between Pd(II) and the apical sulfur atom is in excess of the normal bonding range for Pd-S distance (2.30-2.50 Å).…”