Structure and electrospray mass spectrometry studies on dithiacyclooctan-3-ol-containing palladium (II) complex of trans -[Pd(dtco-3-OH)_2](ClO_4)_2·2DMSO

The structure of trans-Pd(dtco-3-OH)2] (ClO4)2·2DMSO, in which dtco-3-OH is dithiacyclooctan-3-ol and DMSO is dimethyl sulfoxide, was determined by X-ray crystallographic analysis. The crystal data: space group pi, a = 0.7077(2) nm, b = 1.0788(1) nm, c = 1.1111(1) nm, α=67.710(8)°, β = 73. 59(2)°, γ = 85. 39(2)°,R1 = 0 . 0368 and Rw = 0.0998. The palladium (II) is coordinated by four sulfur atoms with a regular square planar configuration. The Pd-S distances are 0.2314(1) and 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 crystal structure. An aqueous solution prepared with the crystals of the complex was used for the investigation of electrospray mass spectrometry ( ESMS ). Besid

Structure and electrospray mass spectrometry studies on dithiacyclooctan‐3‐ol‐containing palladium (II) complex of trans ‐[Pd‐(dtco‐3‐OH)2] (ClO4)2·2DMSO

The structure of trans‐Pd‐(dtco‐3‐OH)₂] (ClO₄)₂·2DMSO, in which dtco‐3‐OH is dithiacyclooctan‐3‐ol and DMSO is dimethyl sulfoxide, was determined by X‐ray crystallographic analysis. The crystal data: space group p1, a = 0.7077(2) nm, b = 1.0788(1) nm, c = 1.1111(1) nm, α = 67.710(8)°, β = 73.59(2)°,γ = 85.39(2)°, R₁ = 0.0368 and R_w = 0.0998. The palladium (II) is coordinated by four sulfur atoms with a regular square planar configuration. The Pd—S distances are 0.2314(1) and 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 crystal structure. An aqueous solution prepared with the crystals of the complex was used for the investigation of electrospray mass spectrometry (ESMS). Besides trans‐ Pd (dtco‐3‐OH)₂]²⁺ . 2DMSO observed, in the full scan spectrum 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 interaction present in solution between inorganic complexes and solvents.