Diode laser spectroscopy of methyl chloride overtones at 850–860 nm

Lucchesini, A.; Gozzini, S.

doi:10.1016/j.jqsrt.2015.09.010

Cited by 3 publications

(3 citation statements)

References 28 publications

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“…This work on methyl iodide or iodomethane (CH 3 I) is the natural continuation of the previous ones on methyl halides CH 3 F [1] and CH 3 Cl [2] (C 3υ symmetry group), detected at 850 nm in the gas phase by the author. In fact, their absorption bands in the infrared (IR) and in the near-infrared (NIR) part of the e.m. spectra are very similar.…”

Section: Introductionsupporting

confidence: 57%

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Diode Laser Overtone Spectroscopy of Methyl Iodide at 850 nm

Lucchesini

2023

Spectroscopy Journal

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Using Tunable Diode Laser Absorption Spectroscopy (TDLAS), 82 CH3I overtone absorption lines were detected for the first time in the range between 11,660 and 11,840 cm−1 (844–857 nm), with strengths estimated around 10−27–10−26 cm/molecule. The lines were measured utilizing commercial heterostructure F–P type diode lasers, multipass cells, and wavelength modulation spectroscopy with the second harmonic detection technique. A high modulation amplitude approach was adopted for the analysis of the line shapes. Self-broadening coefficients were obtained for two lines.

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Section: Introductionsupporting

confidence: 57%

“…The schematic of the experimental apparatus is illustrated in Fig. 1 and follows the previous work on CH 3 Cl [2]. The employed source was the single mode Al-GaAs/GaAs double heterostructure F-P type diode laser (DL), Thorlabs L852P100, with maximum power ≃ 100 mW cw in free-running configuration.…”

Section: Experiments a Experimental Setupmentioning

confidence: 99%

Diode Laser Overtone Spectroscopy of Methyl Iodide at 850 nm

Lucchesini

2023

Spectroscopy Journal

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“…This will require increasing both the size of the vibrational basis set and the frequency range considered. Measurements of absolute line intensities of the order 10 −26 -10 −27 cm/molecule have been reported in the 11 590-11 760 cm −1 spectral region [26]. Presently we are unable to accurately model such high frequencies; this is a major challenge for variational calculations on small polyatomic molecules.…”

Section: Discussionmentioning

confidence: 99%

A global ab initio dipole moment surface for methyl chloride

Owens

Yurchenko

Yachmenev

et al. 2016

Journal of Quantitative Spectroscopy and Radiative Transfer

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A new dipole moment surface (DMS) for methyl chloride has been generated at the CCSD(T)/aug-cc-pVQZ(+d for Cl) level of theory. To represent the DMS, a symmetry-adapted analytic representation in terms of nine vibrational coordinates has been developed and implemented. Variational calculations of the infrared spectrum of CH₃Cl show good agreement with a range of experimental results. This includes vibrational transition moments, absolute line intensities of the ν₁, ν₄, ν₅ and 3ν₆ bands, and a rotation–vibration line list for both CH₃³⁵Cl and CH₃³⁷Cl including states up to J=85 and vibrational band origins up to 4400 cm⁻¹. Across the spectrum band shape and structure are well reproduced and computed absolute line intensities are comparable with highly accurate experimental measurements for certain fundamental bands. We thus recommend the DMS for future use

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