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)

Citation
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
Citations number
50
Categorie Soggetti
Chemistry
ISSN journal
00027863
Volume
116
Issue
8
Year of publication
1994
Pages
3519 - 3528
Database
ISI
SICI code
0002-7863(1994)116:8<3519:SOTIBW>2.0.ZU;2-1
Abstract
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.