SOLVATION OF TRANSITION-METAL IONS BY WATER - SEQUENTIAL BINDING-ENERGIES OF M(-4) FOR M=TI TO CU DETERMINED BY COLLISION-INDUCED DISSOCIATION()(H2O)(X), (X=1)
Nf. Dalleska et al., SOLVATION OF TRANSITION-METAL IONS BY WATER - SEQUENTIAL BINDING-ENERGIES OF M(-4) FOR M=TI TO CU DETERMINED BY COLLISION-INDUCED DISSOCIATION()(H2O)(X), (X=1), Journal of the American Chemical Society, 116(8), 1994, pp. 3519-3528
Thresholds for collision-induced dissociation of M(+)(H2O)(x) (x = 1-4
, M = Ti to Cu) with xenon are measured by using guided ion beam mass
spectrometry. In all cases, the primary product is endothermic loss of
one water molecule. The cross-section thresholds are interpreted to y
ield 0 K bond energies after accounting for the effects of multiple io
n-molecule collisions, internal energy of the clusters, and dissociati
on lifetimes. Overall, the results presented here are consistent with
previously reported values for x = 1 and 2 and resolve several discrep
ancies in these values. Theory is shown to accurately predict the BDEs
of x = 1 and 2 as well as the sign of the difference between them. Fo
r all ions but Mn+, the bond dissociation energies (BDEs) of the first
and second water molecules are large compared with those of the third
and fourth water molecules. Trends in BDEs are discussed in terms of
hybridization and spin changes occurring at the transition metal cente
r.