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Infrared spectroscopy of Li(NH[subscript 3])[subscript n] clusters for n=4-7

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posted on 26.06.2013, 14:51 by Tom E. Salter, Victor A. Mikhailov, Corey J. Evans, Andrew M. Ellis
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.

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Citation

Journal of Chemical Physics, 2006, 125 (3), 4302.

Author affiliation

/Organisation/COLLEGE OF SCIENCE AND ENGINEERING/Department of Chemistry

Version

VoR (Version of Record)

Published in

Journal of Chemical Physics

Publisher

American Institute of Physics (AIP)

issn

0021-9606

eissn

1089-7690

Copyright date

2006

Available date

26/06/2013

Publisher version

http://jcp.aip.org/resource/1/jcpsa6/v125/i3/p034302_s1

Language

en

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