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H2NCHS |
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Nitrogen
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Nuclear
Quadrupole Coupling Constants |
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in Thioformamide |
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Table 1. 14N nqcc's in H2NCHS (MHz). Calculation was made on the substitution structure of Sugisaki et al. [1]. |
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Calc.
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Expt. I [1] |
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Expt. II [1] |
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Xaa |
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1.929 |
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2.9(12) |
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2.4(8) |
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Xcc - Xbb |
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5.151 |
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5.39(15) |
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5.09(12) |
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Xbb |
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1.611 |
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1.2(6) |
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1.4(4) |
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Xcc |
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3.540 |
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4.2(6) |
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3.7(4) |
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|Xab| |
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0.031 |
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| Table 2. Molecular structure parameters, rs [1] (Å and degrees minutes). |
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NHc |
1.0018(60) |
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NHt |
1.0065(30) |
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CN |
1.3582(30) |
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CS |
1.6262(20) |
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CH |
1.096(80) |
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HcNHt |
121 42'(40') |
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HcNC |
117 55'(40') |
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HtNC |
120 22'(30') |
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NCS |
125 16'(15') |
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NCH |
108 5'(5o) |
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SCH |
126 39'(5o) |
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[1] R.Sugisaki, T.Tanaka, and E.Hirota, J.Mol.Spectrosc.
49,241(1974).
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H2NCHO |
NH2OH |
NH2Cl |
NH2F |
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BH2NH2 |
BF2NH2 |
PF2NH2 |
B2H5NH2 |
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Table of Contents |
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Molecules/Nitrogen |
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H2NCHS.html |
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Last
Modified 23 May 2003 |
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