Home List of Titles Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid
Please use this identifier to cite or link to this item: http://hdl.handle.net/1959.3/235677
- Photoelectron spectra of some antibiotic building blocks: 2-azetidinone and thiazolidine-carboxylic acid
- Ahmed, Marawan; Ganesan, Aravindhan; Wang, Feng; Feyer, Vitaliy; Plekan, Oksana; Prince, Kevin C.
- X-ray photoelectron spectra of the core and valence levels of the fundamental building blocks of β-lactam antibiotics have been investigated and compared with theoretical calculations. The spectra of the compounds 2-azetidinone and the 2- and 4-isomers of thiazolidinecarboxylic acid are interpreted in the light of theoretical calculations. The spectra of the two isomers of thiazolidinecarboxylic acid are rather similar, as expected, but show clear effects due to isomerization. Both isomers are analogues of proline, which is wellknown\ to populate several low energy conformers in the gas phase. We have investigated the low energy conformers of thiazolidine-4-carboxylic acid theoretically in more detail and find some spectroscopic evidence that multiple conformers may be present. The measured valence levels are assigned for all three compounds, and the character of the frontier orbitals is identified and analyzed.
- Publication type
- Journal article
- Research centre
- Swinburne University of Technology. Faculty of Life and Social Sciences
- Journal of Physical Chemistry A, Vol. 116, no. 33 (Aug 2012), pp. 8653-8660
- Publication year
- FOR Code(s)
- 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics; 0306 Physical Chemistry (Incl. Structural); 0307 Theoretical and Computational Chemistry
- 2-azetidinone; Antibiotics; Isomers; Photoelectron Spectra; Thiazolidine-carboxylic acid
- American Chemical Society
- Publisher URL
- Copyright © 2012 American Chemical Society.
- Peer reviewed