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dc.contributor.authorHuang, Yu-Hsuanen_US
dc.contributor.authorLi, Junen_US
dc.contributor.authorGuo, Huaen_US
dc.contributor.authorLee, Yuan-Pernen_US
dc.date.accessioned2015-07-21T08:28:16Z-
dc.date.available2015-07-21T08:28:16Z-
dc.date.issued2015-06-07en_US
dc.identifier.issn0021-9606en_US
dc.identifier.urihttp://dx.doi.org/10.1063/1.4921731en_US
dc.identifier.urihttp://hdl.handle.net/11536/124776-
dc.description.abstractThe simplest Criegee intermediate CH2OO is important in atmospheric chemistry. It has been detected in the reaction of CH2I + O-2 with various spectral methods, including infrared spectroscopy; infrared absorption of CH2OO was recorded at resolution 1.0 cm(-1) in our laboratory. We have improved our system and recorded the infrared spectrum of CH2OO at resolution 0.25 cm(-1) with rotational structures partially resolved. Observed vibrational wavenumbers and relative intensities are improved from those of the previous report and agree well with those predicted with quantum-mechanical calculations using the MULTIMODE method on an accurate potential energy surface. Observed rotational structures also agree with the simulated spectra according to theoretical predictions. In addition to derivation of critical vibrational and rotational parameters of the vibrationally excited states to confirm the assignments, the spectrum with improved resolution provides new assignments for bands 2 nu(9) at 1234.2 cm(-1) and nu(5) at 1213.3 cm(-1); some hot bands and combination bands are also tentatively assigned. (C) 2015 AIP Publishing LLC.en_US
dc.language.isoen_USen_US
dc.titleInfrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm(-1) and new assignments of bands 2 nu(9) and nu(5)en_US
dc.typeArticleen_US
dc.identifier.doi10.1063/1.4921731en_US
dc.identifier.journalJOURNAL OF CHEMICAL PHYSICSen_US
dc.citation.volume142en_US
dc.citation.issue21en_US
dc.contributor.department應用化學系zh_TW
dc.contributor.department應用化學系分子科學碩博班zh_TW
dc.contributor.departmentDepartment of Applied Chemistryen_US
dc.contributor.departmentInstitute of Molecular scienceen_US
dc.identifier.wosnumberWOS:000355931800074en_US
dc.citation.woscount0en_US
Appears in Collections:Articles