Radio-Frequency Spectra of NaCl by the Molecular-Beam Electric Resonance Method

Leeuw, F. H. de; Wachem, R. van; Dymanus, A.

doi:10.1063/1.1674166

Cited by 32 publications

(18 citation statements)

References 13 publications

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“…As mentioned earlier, we anticipated that the eQq constants of an alkali metal would take a value close to that in the corresponding alkali halide: 05.6698 and 04.93259 MHz for 23 Na in NaCl (19,20) and NaBr (21), respectively, and 05.656 and 05.0151 MHz for 39 K in KCl (22,23) and KBr (24), respectively. On the other hand, the eQq constant of boron would be quite small because the BH 4 anion would take an almost tetrahedral structure.…”

Section: Resultsmentioning

confidence: 97%

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Fourier Transform Microwave Measurements of the Quadrupole Hyperfine Structure of NaBH4and KBH4

Kawashima

Ohshima

Endo

et al. 1995

Journal of Molecular Spectroscopy

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Section: Resultsmentioning

confidence: 97%

“…The optimum observation conditions for these species were comparable with those for NaCl. Therefore, it is expected that NaBH 4 and KBH 4 have dipole moments as large as that of NaCl, whose dipole moment is 9.00117 D (19).…”

Section: Resultsmentioning

confidence: 98%

Fourier Transform Microwave Measurements of the Quadrupole Hyperfine Structure of NaBH4and KBH4

Kawashima

Ohshima

Endo

et al. 1995

Journal of Molecular Spectroscopy

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“…with t 0 Na at a value constrained to reproduce the electric dipolar moment of 23 Na 35 Cl at R e , 11 the results of a fit appear in the fourth column of Table 1. On the basis of the fitted value of t 0 Cl , we thus produce an estimate g r (R e ) = 0.0287 ± 0.0014 with hence a larger magnitude than before.…”

Section: Inclusion Of Adiabatic Corrections In Fits Of Spectral Datamentioning

confidence: 98%

“…In particular, Dunham coefficients 13 Y kl depend on reduced mass m, Na,Cl estimated, according to formulae 9 and 10, from electric dipolar moment 11 and gr at Re factor taken to be zero -suffice to reproduce the wave numbers for which the best relative precision 8 is 3´10 -7 . These parameters appear in the first column of Table 1.…”

Section: Analysis Of Spectramentioning

confidence: 99%

Analysis of Pure Rotational and Vibration-rotational Spectra of NaCl X¹Σ⁺and Quantum-chemical Calculation of Related Molecular Properties

Ogilvie

Jensen

Sauer

2005

Jnl Chinese Chemical Soc

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We fitted published frequency and wave number data for pure rotational and vibration-rotational spectra, respectively, of 23 Na 35 Cl and 23 Na 37 Cl to derive parameters related to potential energy and to the rotational g factor. For comparison with these experimental data we undertook quantum-chemical computation of adiabatic corrections, rotational and vibrational g factors, electric dipolar moment and its derivative as a function of internuclear distance in a range near Re as a test of an algebraic approach to spectral analysis; experimental, 0.0287 ± 0.0014, and calculated, 0.02149, values of gr at R e are in moderate agreement. The combined results are discussed from a point of view of computational spectrometry.

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“…-Metal halides: the spectroscopic properties of NaCl, KCl, AlCl, and AlF are relatively well known (Caris et al 2002(Caris et al , 2004Hedderich et al 1993;Hedderich & Bernath 1992). The permanent electric dipole moment is very large for NaCl (9.00117 D; De Leeuw et al 1970) and KCl (10.269 D;van Wachen & Dymanus 1967), and noticeably smaller for AlCl and AlF, 1−2 D and 1.53 D, respectively (Lide 1965). For AlCl we adopted a value of 1.5 D, in agreement with the estimation of Lide (1965) and the value previously used by Cernicharo & Guélin (1987).…”

Section: Molecular Datamentioning

confidence: 99%

Molecular abundances in the inner layers of IRC +10216

Agúndez

Fonfría

Cernicharo

et al. 2012

A&A

130

259

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Context. The inner layers of circumstellar envelopes around asymptotic giant branch stars are sites where a variety of processes such as thermochemical equilibrium, shocks induced by the stellar pulsation, and condensation of dust grains determine the chemical composition of the material that is expelled into the outer envelope layers and, ultimately, into interstellar space. Aims. We aim at studying the abundances, throughout the whole circumstellar envelope of the carbon star IRC +10216, of several molecules formed in the inner layers in order to constrain the different processes at work in such regions. Methods. Observations towards IRC +10216 of CS, SiO, SiS, NaCl, KCl, AlCl, AlF, and NaCN have been carried out with the IRAM 30-m telescope in the 80−357.5 GHz frequency range. A large number of rotational transitions covering a wide range of energy levels, including highly excited vibrational states, are detected in emission and serve to trace different regions of the envelope. Radiative transfer calculations based on the LVG formalism have been performed to derive molecular abundances from the innermost out to the outer layers. The excitation calculations include infrared pumping to excited vibrational states and inelastic collisions, for which up-to-date rate coefficients for rotational and, in some cases, ro-vibrational transitions are used. Results. We find that in the inner layers CS, SiO, and SiS have abundances relative to H 2 of 4 × 10 −6 , 1.8 × 10 −7 , and 3 × 10 −6 , respectively, and that CS and SiS have significant lower abundances in the outer envelope, which implies that they actively contribute to the formation of dust. Moreover, in the inner layers, the amount of sulfur and silicon in gas phase molecules is only 27% for S and 5.6% for Si, implying that these elements have already condensed onto grains, most likely in the form of MgS and SiC. Metal-bearing molecules lock up a relatively small fraction of metals, although our results indicate that NaCl, KCl, AlCl, AlF, and NaCN, despite their refractory character, are not significantly depleted in the cold outer layers. In these regions a few percent of the metals Na, K, and Al survive in the gas phase, either in atomic or molecular form, and are therefore available to participate in the gas phase chemistry in the outer envelope.

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Radio-Frequency Spectra of NaCl by the Molecular-Beam Electric Resonance Method

Abstract: The molecular-beam electric resonance method served to measure the radio-frequency spectra of NaCl and to determine the hyperfine constants and the dipole moments for the '/)=0, 1, 2, and 3 vibrational levels of Na 35 Cl, and for the '/)=0 and 1 vibrational levels of Na 37 Cl.

Cited by 32 publications

References 13 publications

Fourier Transform Microwave Measurements of the Quadrupole Hyperfine Structure of NaBH4and KBH4

Fourier Transform Microwave Measurements of the Quadrupole Hyperfine Structure of NaBH4and KBH4

Analysis of Pure Rotational and Vibration-rotational Spectra of NaCl X¹Σ⁺and Quantum-chemical Calculation of Related Molecular Properties

Molecular abundances in the inner layers of IRC +10216

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Radio-Frequency Spectra of NaCl by the Molecular-Beam Electric Resonance Method

Abstract: The molecular-beam electric resonance method served to measure the radio-frequency spectra of NaCl and to determine the hyperfine constants and the dipole moments for the '/)=0, 1, 2, and 3 vibrational levels of Na 35 Cl, and for the '/)=0 and 1 vibrational levels of Na 37 Cl.

Cited by 32 publications

References 13 publications

Fourier Transform Microwave Measurements of the Quadrupole Hyperfine Structure of NaBH4and KBH4

Fourier Transform Microwave Measurements of the Quadrupole Hyperfine Structure of NaBH4and KBH4

Analysis of Pure Rotational and Vibration-rotational Spectra of NaCl X1Σ+and Quantum-chemical Calculation of Related Molecular Properties

Molecular abundances in the inner layers of IRC +10216

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Product

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Analysis of Pure Rotational and Vibration-rotational Spectra of NaCl X¹Σ⁺and Quantum-chemical Calculation of Related Molecular Properties