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The complete iodine and nitrogen nuclear electric quadrupole coupling tensors for fluoroiodoacetonitrile determined by chirped pulse Fourier transform microwave spectroscopy
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10.1063/1.3291619
/content/aip/journal/jcp/132/2/10.1063/1.3291619
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/2/10.1063/1.3291619

Figures

Image of FIG. 1.
FIG. 1.

The calculated structure of fluoroiodoacetonitrile. See text for details of the calculation.

Image of FIG. 2.
FIG. 2.

A 2 GHz scan of the pure rotational spectrum of fluoroiodoacetonitrile recorded using our CP-FTMW spectrometer. The spectrum shown required 10 000 averaging cycles to record . The inverted spectrum shows the spectrum obtained with the fitted parameters in Table III together with the calculated dipole moments given in Table II. A 3 K rotational temperature was used in the prediction to get the best match between observed and predicted intensity patterns. Spectral features, although not labeled, may be identified through reference to the supplementary data table (Ref. 23).

Tables

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Table I.

Calculated structural parameters for fluoroiodoacetonitrile. See text for details of the calculation.

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Table II.

Calculated molecular dipole moments and iodine and nitrogen nuclear electric quadrupole coupling tensors in the , , and axes. See text for details of the calculation.

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Table III.

Spectroscopic parameters for fluoroiodoacetonitrile.

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Table IV.

Four sign combinations of the off-diagonal quadrupole coupling constants of iodine and nitrogen producing the same spectrum.

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Table V.

Comparison of the principal axes quadrupole coupling tensor in fluoroiodoacetonitrile with iodoacetonitrile.

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Table VI.

Comparison of the principal axes nitrogen quadrupole coupling tensor in fluoroiodoacetonitrile with related compounds.

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/content/aip/journal/jcp/132/2/10.1063/1.3291619
2010-01-13
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: The complete iodine and nitrogen nuclear electric quadrupole coupling tensors for fluoroiodoacetonitrile determined by chirped pulse Fourier transform microwave spectroscopy
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/2/10.1063/1.3291619
10.1063/1.3291619
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