Structure and electrospray mass spectrometry studies on dithiacyclooctan-3-ol-containing palladium(II) complex of trans-[Pd(dtco3-OH)(2)] (ClO4)(2) center dot 2DMSO

The structure of trans-[Pd(dtco-3-OH)(2)] (ClO4)(2). 2DMSO, in which dtco-3 -OH is dithiacyclooctan-3-ol and DMSO is dimethylsulfoxide, was determined by X-ray crystallographic analysis. The crystal data: space group p (1) ove r bar, a = 0.7077(2) nm, b = 1.0788(1) nm, c = 1.1111(1) nm, alpha = 67.710 (8)degrees, beta = 73.59(2)degrees, gamma = 85.39(2)degrees, R-1 = 0.0368 a nd R-w = 0.0998. The palladium(IT) is coordinated by four sulfur atoms with a regular square planar configuration. The Pd-S distances are 0.2314(1) an d 0.2317(1) nm, respectively. Both dtco-3-OH ligands are in the boat-chair configuration and two hydroxyl groups are on the opposite sites of the PdS4 coordination plane and are towards Pd(II). The Pd-O distance is 0.285 nm, indicating a weak interaction between them. A typical hydrogen bond between the hydroxyl group of dtco-3-OH ligand and DMSO was observed in the crysta l structure. An aqueous solution prepared with the crystals of the complex was used for the investigation of electrospray mass spectrometry (ESMS). Be sides trans-[Pd(dtco-1-OH)(2)](2+).2DMSO observed, in the full scan spectru m of ESMS, all relative species of it, which were probably produced during electrospray ionization process, were also detected. From these experiments , it reveals that ESMS is a powerful tool for studying noncovalent interact ion present in solution between inorganic complexes and solvents.