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Title: Coordination structures of lithium-methylamine clusters from infrared spectroscopy and ab initio calculations.
Authors: Salter, Tom E.
Ellis, Andrew M.
First Published: 12-Oct-2007
Publisher: American Institute of Physics (AIP)
Citation: Journal of Chemical Physics, 2007, 127 (14), 4314.
Abstract: Spectra of clusters formed between lithium atoms and methylamine molecules are reported for the first time. Mass-selective infrared spectra of Li(NH(2)CH(3))(n) have been recorded in both the N-H and C-H stretching fundamental regions. The infrared spectra are broadly in agreement with ab initio predictions, showing redshifted N-H stretching bands relative to free methylamine and a strong enhancement of the N-H stretching fundamentals relative to the C-H stretching fundamentals. The ab initio calculations suggest that, for n=3, the methylamine molecules bunch together on one side of the lithium atom to minimize repulsive interactions with the unpaired electron density. The addition of a fourth methylamine molecule results in closure of the inner solvation shell and, thus, Li(NH(2)CH(3))(5) is forced to adopt a two-shell coordination structure. This is consistent with neutron diffraction studies of concentrated lithium/methylamine solutions, which also suggest that the first solvation shell around the lithium atom can contain a maximum of four methylamine molecules.
DOI Link: 10.1063/1.2776334
ISSN: 0021-9606
eISSN: 1089-7690
Version: Publisher Version
Status: Peer-reviewed
Type: Journal Article
Rights: Copyright 2007 American Institute of Physics. Deposited with reference to the publisher's archiving policy available on the SHERPA/RoMEO website. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics, 2007, 127 (14), 4314 and may be found at
Appears in Collections:Published Articles, Dept. of Chemistry

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