Microwave Spectrum and Molecular Structure of Monochloroacetonitrile, CH2ClCN

Wada, Kaname; Kikuchi, Yoshikazu; Matsumura, Chi; Hirota, Eizi; Morino, Yonezo

doi:10.1246/bcsj.34.337

Cited by 14 publications

(3 citation statements)

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“…It should be mentioned that our rotational constant A is closer to that of [3]. As a consequence of the higher resolution of MWFT spectroscopy our rotational constants are more precise.…”

mentioning

confidence: 53%

“…The hfs multiplets were analyzed by first order approximation [10][11][12] using the rotational and the 35 Cl-coupling constants of [3] as starting values. After refinement of the 35 Cl-coupling constants and determination of the 37 C1 and 14 N-coupling constants the frequencies of the hypothetical unsplit lines were calculated.…”

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confidence: 99%

“…We checked that the molecular structure cannot be determined with high precision from the known 12 rotational constants (compare [3] and Table 2). Therefore we desisted from calculating the principal coupling tensor components.…”

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confidence: 99%

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Hyperfine Structure in the Rotational Spectrum of Chloroacetonitrile

Merke

Dreizler

1987

Zeitschrift Für Naturforschung A

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In continuation of previous studies on substituted acetonitriles, the chloroacetonitriles CH 2 35 C1CN and CH 2 37 C1CN are investigated. Substituted acetonitriles have earlier been studied in our laboratory [1]. The rotational spectra of the 35 C1-and 37 Cl-species of chloroacetonitrile were investigated by Graybeal [2] and by Wada, Kikuchi, Matsumura, Hirota and Morino [3], with some controversy. The latter authors investigated also the deuterated species CD 2 35 C1CN and CD 2 37 C1CN. The main object of the present investigation was the analysis of the nitrogen hyperfine structure (hfs), which had not been analyzed before.We used microwave Fourier transform (MWFT) spectroscopy [4] in the range from 8 to 26.4 GHz [5][6][7] to resolve the hfs patterns of the rotational transitions produced by N-and Cl-hfs.The substance was purchased from Aldrich Chemie, Steinheim, and used without further purification. The spectra were taken at temperatures varying from -15°C to -50 °C and pressures between 0.3 and 2 mTorr (0.04 to 0.26 Pa). A sample of the measurements is given in Figure 1. A part of the measured lines is given in Tables 1 a and 1 b. The complete list has been deposited under number TNA 9 at the Universitätsbibliothek of the University of Kiel *.The given frequencies resulted from a line contour analysis of the measured multiplets [8,9], The analysis of the spectra was performed in an iterative way. The hfs multiplets were analyzed by first order approximation [10][11][12] C1 and 14 N-coupling constants the frequencies of the hypothetical unsplit lines were calculated. These frequencies were the input data for a fourth order centrifugal distortion analysis with Watson's Sreduction [13,14], which provided improved rotational and centrifugal distortion constants. By itera-*

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“…It should be mentioned that our rotational constant A is closer to that of [3]. As a consequence of the higher resolution of MWFT spectroscopy our rotational constants are more precise.…”

mentioning

confidence: 53%

mentioning

confidence: 99%