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Title: Infrared spectroscopy of Li(NH[subscript 3])[subscript n] clusters for n=4-7
Authors: Salter, Tom E.
Mikhailov, Victor A.
Evans, Corey J.
Ellis, Andrew M.
First Published: 17-Jul-2006
Publisher: American Institute of Physics (AIP)
Citation: Journal of Chemical Physics, 2006, 125 (3), 4302.
Abstract: Infrared spectra of Li(NH[subscript 3])[subscript 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→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[subscript 3][subscript 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 ≥ or 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[subscript 3])[subscript n] is complete at n=4. They are also consistent with neutron diffraction studies of concentrated lithium/liquid ammonia solutions, where Li(NH[subscript 3][subscript 4] is found to be the basic structural motif.
DOI Link: 10.1063/1.2208349
ISSN: 0021-9606
eISSN: 1089-7690
Version: Publisher Version
Status: Peer-reviewed
Type: Journal Article
Rights: Copyright © 2006 American Institute of Physics. Deposited with reference to the publisher's archiving policy available from the SHERPA/RoMEO website.
Appears in Collections:Published Articles, Dept. of Chemistry

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