Detection of a C4 Criegee Intermediate: Fourier-Transform Microwave Spectroscopy of Methacrolein Oxide

Yasuki Endo*, Chen An Chung, Henryk A. Witek, Carlos Cabezas, Yuan Pern Lee

*此作品的通信作者

研究成果: Article同行評審

摘要

Pure rotational transitions of methacrolein oxide (MACRO) were observed by Fourier-transform microwave spectroscopy. Among the four low-lying conformers existing within an energy window of 3 kcal/mol, only the lowest-energy conformer, the anti-trans conformer, was detected in a discharged jet of a 1,3-diiode-2-methylprop-1-ene and O2 mixture diluted in Ar. Nineteen pure rotational transitions, in the frequency range from 10 to 25 GHz, most of them showing A/E splitting due to the methyl-top internal rotation, were observed and analyzed by the XIAM program, yielding the internal rotation barrier of 559 cm-1, which very well agrees with a theoretically calculated value, 558 cm-1, at the CCSD(T)/cc-pVTZ level of theory.

原文English
頁(從 - 到)8602-8606
頁數5
期刊Journal of Physical Chemistry A
127
發行號41
DOIs
出版狀態Published - 19 10月 2023

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