Files in this item

FilesDescriptionFormat

application/pdf

application/pdf4720.pdf (14kB)
AbstractPDF

Description

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


This item appears in the following Collection(s)

Item Statistics