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Title:FTMW SPECTROSCOPY OF THE METHYL-VINYL CRIEGEE INTERMEDIATE
Author(s):Endo, Yasuki
Contributor(s):Lee, Yuan-Pern ; Chung, Chen-An
Subject(s):Atmospheric science
Abstract:Pure rotational transitions of the methyl-vinyl Ciregee intermediate have been observed by FTMW spectroscopy. The species was produced by discharging a mixture, 1,3-diiodo-but-2-en and O$_2$ diluted in Ar. Among four possible isomers for this species with energy less than 3 kcal/mol, only the lowest energy isomer, the \textit{syn-trans} isomer was detected. Thirty rotational transitions with internal rotation splitting for the methyl top were observed. The observed frequencies were analyzed by the XIAM program,$^1$ yielding the rotational constants, which agree very well for the lowest energy isomer, giving definite assignment of the isomer observed. Furthermore, the internal rotation barrier was determined to be 702.8(28) cm$^{-1}$, which also reasonably agrees with that of an \textit{ab initio} calculation 680 cm$^{-1}$ at CCSD(T)/cc-pVTZ. \vspace{1em}\noindent 1. H. Hartwig and H. Dreizler, Z. Narturforsch. A 51, 923 (1996).
Issue Date:2019-06-20
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/104266
DOI:10.15278/isms.2019.RJ06
Rights Information:Copyright 2019 Yasuki Endo
Date Available in IDEALS:2019-07-15
2020-01-25


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