Conformational and Infrared Spectral Studies of L-Methionine and Its N-Deuterated Isotopomer as Isolated Zwitterions
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]
|Collections||ANU Research Publications|
|Source:||Journal of Physical Chemistry A|
|01_Cao_Conformational_and_Infrared_2002.pdf||147.15 kB||Adobe PDF||Request a copy|
|02_Cao_Conformational_and_Infrared_2002.pdf||141.4 kB||Adobe PDF||Request a copy|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.