Gas-phase thermochemistry of ruthenium carbene metathesis catalysts

The activation energies are measured for phosphine dissociation and ring-closing metathesis for cationized Grubbs first and second-generation catalysts in the gas phase by deconvolution of the energy-resolved collision-induced dissociation cross-sections of electrosprayed ruthenium carbene complexes. The absolute binding energies have agreed well with the latest density functional theory calculations by using a density functional specifically suited for organometallic thermochemistry.