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c-NH2SH |
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Nitrogen
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Nuclear
Quadrupole Coupling Constants |
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in Thiohydroxylamine |
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Table 1. Nitrogen nqcc's in c-NH2SH (MHz). Calculation was made on the ro structure of Lovas et al. [1]. |
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Calc. |
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Expt. [1] |
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14N |
Xaa |
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3.496 |
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3.601(55) |
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Xbb |
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4.946 |
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4.772(64) |
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Xcc |
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1.450 |
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1.170(71) |
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|Xab| |
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1.399 |
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RMS |
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0.199 (6.3 %) |
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RSD |
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0.030 (1.3 %) |
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Table 2. Molecular structure parameters, ro [1] (Å and degrees). |
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NH |
1.008(13) |
Z-Matrix |
NS |
1.705(3) |
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SH |
1.351(35) |
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HNH |
111.6(21) |
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HNS |
112.7(9) |
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NSH |
101.9(18) |
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[1] F.J.Lovas, R.D.Suenram, and W.J.Stevens, J.Mol.Spectrosc. 100,316(1983).
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H2NCHO |
H2NCHS |
NH2Cl |
NH2F |
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BH2NH2 |
BF2NH2 |
PF2NH2 |
B2H5NH2 |
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NH2OH |
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Table of Contents |
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Molecules/Nitrogen |
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NH2SH.html |
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Last
Modified 10 Oct 2005 |
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