Project Significance:
To identify and characterize isomers of different polynuclear ion clusters, especially 3d and 4d transition metals in combination with naturally occurring ligands. Results from these studies directly relate to the speciation of such metals in low density, high temperature steam.
Results Achieved:
ESI FT-ICR mass spectrometry allows observe wide range of polyoxometalate clusters in aqueous solutions of Na2MoO4 and Na2WO4. For the first time, we present mass spectra of mixed [(Na2MoO4)m(Na2WO4)nNax)]x+ and their theoretical structures. We also report theoretical structures and energies of pure singly- and multiply-charged tungstate and molybdate ion clusters. Our results support previous studies[1-4] on the existence and energetic properties of [(Na2WO4)nNax)]x+ and [(Na2MoO4)mNax)]x+ ion clusters and provide a suitable means of delivering molecular-scale information on the speciation, distribution and abundance of such moieties in crustal fluids.
