Binding energies of first and second shell water molecules in the Fe( H2 O)2+, Co( H2 O)2+ and Au( H2 O)2+ cluster ions

Theory meets experiment: Gas-phase chemistry of coinage metals

“…2); for n = 9 and 10, the further water molecules form a hydrogen-bond network bridging the balls of the dumbbell [33]. The theoretical findings of Khanna and co-workers agree well with the experimental data available for Au(H 2 O) n + (n = 1-10) [19,20]. We note in passing that also anionic M(H 2 O) − clusters (M = Cu, Ag, Au) have been studied recently [42].…”

Photodissociation and photochemistry of V+(H2O)n, n = 1–4, in the 360–680 nm region

“…Three H 2 O were found to be coordinated to V + in a T-shaped arrangement [13]. Photodissociation of hydrated monovalent transition metal ions with electronic excitation of the metal center leads to loss of water [16][17][18][19][20], which is accompanied by water activation and loss of atomic hydrogen for Fe was observed at 629.7 nm [20]. For neutral V, spontaneous insertion of the metal into the O-H bond to form HVOH was observed in matrix isolation infrared spectra by Zhou et al [21].…”

Hydrated copper and gold monovalent cations: Ab initio study

“…[19][20][21][22] In particular, experimental hydration and solvation energies and coordination numbers ͑CN͒ of hydrated copper and silver cation clusters have been reported. [5][6][7][8] The noble monovalent cations ͑Cu, Ag, and Au͒ have characteristic electronic properties with high electron affinity ͑EA͒. These noble metal monovalent cations have much smaller energy gaps E gap between the highest occupied molecular orbital ͑HOMO͒ and the lowest unoccupied molecular orbital ͑LUMO͒ in comparison with alkali metal monovalent cations.…”

“…1-3 Hydration chemistry of monovalent systems including alkali metal ions has been intensively studied experimentally [4][5][6][7][8][9][10][11][12] and theoretically. [13][14][15][16][17][18][19][20][21][22] Their characteristic coordination reflects the intrinsic properties of ions.…”