An absolute sodium cation affinity scale: Threshold collision-induced dissociation experiments and ab initio theory

Citation
Pb. Armentrout et Mt. Rodgers, An absolute sodium cation affinity scale: Threshold collision-induced dissociation experiments and ab initio theory, J PHYS CH A, 104(11), 2000, pp. 2238-2247
Citations number
55
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
104
Issue
11
Year of publication
2000
Pages
2238 - 2247
Database
ISI
SICI code
1089-5639(20000323)104:11<2238:AASCAS>2.0.ZU;2-M
Abstract
Threshold collision-induced dissociation of Na+(L) with xenon is studied us ing guided ion beam mass spectrometry. The ligand L includes ethene, benzen e, phenol, ammonia, acetaldehyde, acetone, and N,N-dimethylformamide. In al l cases, the primary product formed corresponds to endothermic loss of the neutral ligand and the only other product observed is the result of ligand exchange processes to form NaXe+. The cross-section thresholds are interpre ted to yield 0 and 298 K bond energies for Na+-L after accounting for the e ffects of multiple ion-molecule collisions. internal energy of the reactant ions, and dissociation lifetimes. Ab initio calculations at several levels of theory compare favorably to the experimentally determined bond energies for these and previously studied systems, L = Ar, CO, dimethyl ether, H2O, methylamine, imidazole, dimethoxyethane, and several alcohols. Combined, t hese ligands cover a very wide range in binding energies, and thereby help to establish an absolute scale for sodium cation affinities.