A comparison of the gas, solution, and solid state coordination environments for the copper(II) complexes of a series of aminopyridine ligands of varying coordination number

LC–MS/MS and density functional theory study of copper(II) and nickel(II) chelating complexes of elesclomol (a novel anticancer agent)

“…As for the Cu(II)-chelating complex that is generated in the ESI source (when the aqueous mobile phase was doped with CuCl 2 at 10 −7 M), MS/MS (spectrum not shown) exhibits the same fragmentation pathways. Although the coordination properties of a chelating complex may vary in the gas phase and the condensed state [12], these MS/MS data imply that the Cu(II)-chelating complexes produced in the ESI source and in the solution should have the same conformation in the gas phase; otherwise they would give different MS/MS spectra [13]. Similarly, the Ni(II)-chelating complexes that is generated in solution during the chromatographic separation (Fig.…”

Gas-phase ion–molecule reactions of divalent metal complex ions: Toward coordination structure analysis by mass spectrometry and some intrinsic coordination chemistry along the way

“…We have demonstrated using two different approaches how I-M reactions can determine coordination numbers. The first approach involves reagent gases that are selectively reactive with complexes that have a given coordination number [16,[21][22][23]27]. In previous work, with complexes having nitrogen-containing ligands, we showed that 6-coordinate complexes of divalent metal ions are generally unreactive, while 5-coordinate complexes react with reagents such as pyridine or ethylamine to add one reagent molecule.…”

Electrospray ionization studies of transition‐metal complexes of 2‐acetylbenzimidazolethiosemicarbazone using collision‐induced dissociation and ion‐molecule reactions

“…To confirm the coordination number of the metal ion we performed ion‐molecule reactions (ligand‐pickup experiments) on [M+2L–2H] + ions in the collision cell. In these experiments,17–23 the ion of interest is selected using MS1 and allowed to undergo ion‐molecule reactions with the gaseous ligand of interest introduced into the collision cell. The resulting ions are then analyzed by MS2.…”