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HNC |
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Nitrogen |
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Nuclear
Quadrupole Coupling Constants |
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in Hydrogen Isocyanide |
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Table 1. Nitrogen nqcc's in HNC (MHz). |
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Calc / Ref Reference is for the structure on which calculation was made. |
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Calc / Ref |
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Expt. [1] |
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14N |
Xzz |
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0.423 [2] |
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0.28(3) |
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0.417 [3] |
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Difference between calculated and experimental nqcc's is
0.14 MHz (50 %). |
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| Table 2. Structure parameters (Å). |
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re [2] |
re [3] |
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HC |
0.9960643 |
0.9940 |
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CN |
1.1683506 |
1.1689 |
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[1] M.A.Frerking, W.D.Langer, and R.W.Wilson, Ap.J.(Lett.) 232,L65
(1979). |
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[2] N.C.Handy, J.Chem. Phys. 97,1606(1992). |
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[3] R.A.Creswell and A.G.Robiette, Mol.Phys.
36,869(1978). |
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HCN |
HCCNC |
CH3NC |
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CNCN |
LiNC |
CF3NC |
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Table of Contents |
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Molecules/Nitrogen |
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HNC.html |
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Last
Modified 22 May 2003 |
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