High resolution quantum cascade laser spectroscopy of the simplest Criegee intermediate, CH 2 OO, between 1273 cm -1 and 1290 cm -1
The region 1273-1290 cm of the ν fundamental of the simplest Criegee intermediate, CH OO, has been measured using a quantum cascade laser transient absorption spectrometer, which offers greater sensitivity and spectral resolution (<0.004 cm ) than previous works based on thermal light sources. Ga...
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Published in | The Journal of chemical physics Vol. 146; no. 24; p. 244302 |
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Main Authors | , , , , , |
Format | Journal Article |
Language | English |
Published |
United States
28.06.2017
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Abstract | The region 1273-1290 cm
of the ν
fundamental of the simplest Criegee intermediate, CH
OO, has been measured using a quantum cascade laser transient absorption spectrometer, which offers greater sensitivity and spectral resolution (<0.004 cm
) than previous works based on thermal light sources. Gas phase CH
OO was generated from the reaction of CH
I + O
at 298 K and 4 Torr. The analysis of the absorption spectrum has provided precise values for the vibrational frequency and the rotational constants, with fitting errors of a few MHz. The determined ratios of the rotational constants, A'/A″ = 0.9986, B'/B″ = 0.9974, and C'/C″ = 1.0010, and the relative intensities of the a- and b-type transitions, 90:10, are in good agreement with literature values from a theoretical calculation using the MULTIMODE approach, based on a high-level ab initio potential energy surface. The low-K (=K
) lines can be fitted extremely well, but rotational perturbations by other vibrational modes disrupt the structure for K = 4 and K ≥ 6. Not only the spectral resolution but also the detection sensitivity of CH
OO IR transitions has been greatly improved in this work, allowing for unambiguous monitoring of CH
OO in kinetic studies at low concentrations. |
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AbstractList | The region 1273-1290 cm
of the ν
fundamental of the simplest Criegee intermediate, CH
OO, has been measured using a quantum cascade laser transient absorption spectrometer, which offers greater sensitivity and spectral resolution (<0.004 cm
) than previous works based on thermal light sources. Gas phase CH
OO was generated from the reaction of CH
I + O
at 298 K and 4 Torr. The analysis of the absorption spectrum has provided precise values for the vibrational frequency and the rotational constants, with fitting errors of a few MHz. The determined ratios of the rotational constants, A'/A″ = 0.9986, B'/B″ = 0.9974, and C'/C″ = 1.0010, and the relative intensities of the a- and b-type transitions, 90:10, are in good agreement with literature values from a theoretical calculation using the MULTIMODE approach, based on a high-level ab initio potential energy surface. The low-K (=K
) lines can be fitted extremely well, but rotational perturbations by other vibrational modes disrupt the structure for K = 4 and K ≥ 6. Not only the spectral resolution but also the detection sensitivity of CH
OO IR transitions has been greatly improved in this work, allowing for unambiguous monitoring of CH
OO in kinetic studies at low concentrations. |
Author | Merer, Anthony J Chang, Hsun-Hui Chang, Yuan-Pin Lin, Jim Jr-Min Jhang, Li-Ji Chao, Wen |
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BackLink | https://www.ncbi.nlm.nih.gov/pubmed/28668015$$D View this record in MEDLINE/PubMed |
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Snippet | The region 1273-1290 cm
of the ν
fundamental of the simplest Criegee intermediate, CH
OO, has been measured using a quantum cascade laser transient absorption... |
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Title | High resolution quantum cascade laser spectroscopy of the simplest Criegee intermediate, CH 2 OO, between 1273 cm -1 and 1290 cm -1 |
URI | https://www.ncbi.nlm.nih.gov/pubmed/28668015 |
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