The [Al(NH3)n]+ ions with n = 1-5 are studied by infrared photodissociation spectroscopy and density functional theory calculations. The inserted [H-Al-NH2]+ structure is calculated to be higher in energy than the adduct [Al-NH3] + structure. However, incremental solvation stabilizes the inserted structure more efficiently than the adduct structure, because of a larger effective charge on the Al atom in [H-Al-NH2]+. Actually, the infrared spectra demonstrate that the [(H-Al-NH2)(NH 3)n-1]+ ions are predominant over [Al-(NH 3)n]+ for n ≥ 4, while the adduct structures dominate the spectra of [Al(NH3)n • Ar]+ for n = 1-3.
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry