Rotational spectrum of CH3C13CCCH: Determination of the equilibrium structure of methyldiacetylene from microwave spectroscopy and ab initio calculations

Cazzoli, G.; Cludi, L.; Contento, Michele; Puzzarini, Cristina

doi:10.1016/j.jms.2008.03.009

Cited by 11 publications

(17 citation statements)

References 34 publications

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“…Very recently the rotational spectrum of the 13 C-containing species, CH 3 C 13 CCCH, has been recorded in natural abundance [1]. As evident from Ref.…”

Section: Introductionmentioning

confidence: 89%

“…The measurements have been carried out using the millimeterwave frequency-modulated spectrometer [5], as described in Cazzoli et al [1]. Here, we briefly recall the main details.…”

Section: Methodsmentioning

confidence: 99%

“…In regard to the frequency source modulation technique, the modulation depth has been varied in the range 40-400 kHz according to the gas pressure and transition under consideration, whereas the modulation frequency has been kept fixed at 16.66 kHz. Methyldiacetylene was synthesized by following the procedure reported in Verkruijsse and Brandsma [6], as described in Cazzoli et al [1].…”

Section: Methodsmentioning

confidence: 99%

“…As evident from Ref. [1], the rotational parameters of CH 3 C 13 CCCH are very similar to those of the main isotopologue as the 13 C atom is close to the center of mass; therefore, good resolution as well as good signal-to-noise (S/N) ratio were required in order to make its rotational transitions detectable with respect to the strong ones belonging to CH 3 CCCCH. Further complications in the assignment procedure were due to the fact that the rotational spectra of the lowest vibrational excited states (the m 11 , m 12 , m 13 , and m 14 bending modes) of the main isotopic species are even more intense than that of CH 3 C 13 CCCH in its ground state.…”

Section: Introductionmentioning

confidence: 95%

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Rotational spectrum of the v11=1 and v14=1 vibrational states of CH3CCCCH

Cazzoli¹,

Puzzarini²

2009

Journal of Molecular Spectroscopy

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“…Very recently the rotational spectrum of the 13 C-containing species, CH 3 C 13 CCCH, has been recorded in natural abundance [1]. As evident from Ref.…”

Section: Introductionmentioning

confidence: 89%

“…The measurements have been carried out using the millimeterwave frequency-modulated spectrometer [5], as described in Cazzoli et al [1]. Here, we briefly recall the main details.…”

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 95%

See 2 more Smart Citations

Rotational spectrum of the v11=1 and v14=1 vibrational states of CH3CCCCH

Cazzoli¹,

Puzzarini²

2009

Journal of Molecular Spectroscopy

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“…All measurements have been carried out at room temperature. A commercial sample of methylacetylene was used without any further purifications, whereas methyldiacetylene was synthesized by following the procedure reported in Verkruijsse & Brandsma (1991), as described in Cazzoli et al (2008).…”

Section: Experimental Details and Spectra Analysismentioning

confidence: 99%

Lamb-dip spectrum of methylacetylene and methyldiacetylene: precise rotational transition frequencies and parameters of the main isotopic species

Cazzoli

Puzzarini

2008

A&A

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Context. Methylacetylene and methyldiacetylene are the first members of the methylpolyynes series, CH 3 C 2n H (n = 1, 2). Their astrophysical relevance has motivated this spectroscopic study. Aims. The aim of this investigation is to provide very accurate rest frequencies, as well as to improve the spectroscopic parameters available in the literature for these molecules. Methods. The Lamb-dip technique was exploited in order to record the rotational spectra of CH 3 CCH and CH 3 CCCCH at subDoppler resolution in the millimeter-and submillimeter-wave frequency ranges. In addition, for CH 3 CCH rotational transitions in the THz region were recorded at Doppler resolution. Results. We report the most accurate ground-state rotational parameters known at the moment for the main isotopic species of methylacetylene, as well as of methyldiacetylene. Conclusions. Since both molecules are known to be of astrophysical relevance, we are confident that the improvement in the accuracy of the ground-state rotational parameters as well as of the rest frequencies of rotational transitions could be useful for future observations purposes.

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Computational Approach to Rotational Spectroscopy

Puzzarini

2011

Computational Strategies for Spectroscopy

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Rotational spectrum of CH3C13CCCH: Determination of the equilibrium structure of methyldiacetylene from microwave spectroscopy and ab initio calculations

Cited by 11 publications

References 34 publications

Rotational spectrum of the v11=1 and v14=1 vibrational states of CH3CCCCH

Rotational spectrum of the v11=1 and v14=1 vibrational states of CH3CCCCH

Lamb-dip spectrum of methylacetylene and methyldiacetylene: precise rotational transition frequencies and parameters of the main isotopic species

Computational Approach to Rotational Spectroscopy

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