Infrared spectroscopy of Li(NH{sub 3}){sub n} clusters for n=4-7
- Department of Chemistry, University of Leicester, University Road, Leicester LE1 7RH (United Kingdom)
Infrared spectra of Li(NH{sub 3}){sub n} clusters as a function of size are reported for the first time. Spectra have been recorded in the N-H stretching region for n=4{yields}7 using a mass-selective photodissociation technique. For the n=4 cluster, three distinct IR absorption bands are seen over a relatively narrow region, whereas the larger clusters yield additional features at higher frequencies. Ab initio calculations have been carried out in support of these experiments for the specific cases of n=4 and 5 for various isomers of these clusters. The bands observed in the spectrum for Li(NH{sub 3}){sub 4} can all be attributed to N-H stretching vibrations from solvent molecules in the first solvation shell. The appearance of higher frequency N-H stretching bands for n{>=}5 is assigned to the presence of ammonia molecules located in a second solvent shell. These data provide strong support for previous suggestions, based on gas phase photoionization measurements, that the first solvation shell for Li(NH{sub 3}){sub n} is complete at n=4. They are also consistent with neutron diffraction studies of concentrated lithium/liquid ammonia solutions, where Li(NH{sub 3}){sub 4} is found to be the basic structural motif.
- OSTI ID:
- 20864272
- Journal Information:
- Journal of Chemical Physics, Vol. 125, Issue 3; Other Information: DOI: 10.1063/1.2208349; (c) 2006 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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