Physics
Scientific paper
Jun 2010
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2010mss..confeth14t&link_type=abstract
"International Symposium On Molecular Spectroscopy, 65th Meeting, Held 21-25 June, 2010 at Ohio State University. http://molspec
Physics
Microwave (Rotational)
Scientific paper
The chirality recognition effect between the prototype chiral molecular systems, i.e. glycidol and propylene oxide has been studied using rotational spectroscopy and high level ab initio calculations. Extensive ab initio calculations have been performed to locate all possible low energy conformers of the diastereomeric pair and twenty eight minima have been found. The four most sable hetero and four homo chiral dimers, formed from the two lowest energy monomer conformations G+g- and G-g+ of the glycidol, were predicted to be close in their stability. Jet-cooled rotational spectra of some of them have been detected using a pulsed molecular beam Fourier transform microwave spectrometer and been assigned for the first time. All the low energy binary conformers observed show one primary intermolecular O-H- - -O hydrogen bond and two secondary intermolecular C-H- - -O hydrogen bonds. The induced fit phenomenon detectedwill be discussed.
Borho Nicole
Sunahori Fumie X.
Thomas Javix
Xu Yunjie
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