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PF2NH2 |
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Nitrogen
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Nuclear
Quadrupole Coupling Constants |
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in Aminodifluorophosphine |
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RMS is the root mean square
difference between calculated and experimental nqcc's (percentage of
average experimental nqcc). RSD is the residual stand deviation
of calibration of the model for calculation of
the nqcc's. |
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Table 1. Nitrogen
nqcc's in PF2NH2 (MHz). Calculation was made on the effective structure of Brittain et al. [1]. |
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Calc. |
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Expt. [1] |
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14N |
Xaa |
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1.840 |
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1.65(13) |
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Xbb |
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4.198 |
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3.45(25) |
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Xcc |
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2.358 |
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1.80(25) |
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|Xab| |
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0.135 |
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RMS |
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0.55 (24 %) |
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RSD |
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0.030 (1.3 %) |
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Table 2. Structure parameters, ro [1] (Å and degrees). |
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[1] A.H.Brittain, J.E.Smith, P.L.Lee,
K.Cohn, and R.H.Schwendeman, J.Amer.Chem.Soc. 93,6772(1971). |
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NH2F |
NH2Cl |
NH2OH |
PF2CN |
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Table of Contents |
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Molecules/Nitrogen |
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PF2NH2.html |
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Last
Modified 23 May 2003 |
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