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 Title: ROTATIONAL SPECTROSCOPY OF PROPYLENE OXIDE RADICALS Author(s): Sandhu, Anahut Contributor(s): Crabtree, Kyle N.; Xu, Zhongxing ; Westerfield, J. H.; Johansen, Sommer L. Subject(s): Radicals Abstract: Chirality, the molecular characteristic of having non-superimposable mirror images, is a major component of life as we know it. Investigation of chiral molecules in interstellar space may provide insight into the origins of homochirality in biology. Propylene oxide (CH$_3$CHCH$_2$O) was the first chiral molecule to be detected in space. Reactions inolving it and its radical derivatives may provide a means for installing chiral centers in more complex molecules, especially in protostellar regions. We have calculated the equilibrium structures of four radical derivatives of propylene oxide at the CCSD(T)/cc-pwCVTZ level of theory along with spin-rotation interaction terms. In addition, we have explored the barrier to internal rotation of the methyl group in two of the radicals at the CCSD(T)/cc-pwCVDZ level. We will discuss the results of these calculations and searches for the pure rotational spectra of these radicals. Issue Date: 23-Jun-20 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/107629 Date Available in IDEALS: 2020-06-26
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