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Conformational and Infrared Spectral Studies of L-Methionine and Its N-Deuterated Isotopomer as Isolated Zwitterions

Cao, Xiaolin; Fischer, Gad

Description

The mid-IR spectra of L-methionine and its N-D3 deuterated isotopomer as isolated zwitterions in a KBr solid solvent have been obtained by means of a newly developed infrared sampling technique, which involves the production of thin films. Ab initio calculations of the nonaqueous self-consistent reaction field type, using the Onsager dipole-sphere model have been carried out at both the Hartree-Fock and density functional levels of theory for the prediction of the vibrational spectra and...[Show more]

CollectionsANU Research Publications
Date published: 2002
Type: Journal article
URI: http://hdl.handle.net/1885/91912
Source: Journal of Physical Chemistry A
DOI: 10.1021/jp012908x

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