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NNO |
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Nitrogen |
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Nuclear
Quadrupole Coupling Constants |
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in
Nitrous Oxide |
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Table 1. 14N
nqcc's in NNO (MHz). |
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Calc. |
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Expt / Ref |
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NNO |
Xzz |
-
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0.746 |
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0.77376(27) [1] |
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- |
0.7767(10) [2] |
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0.792(5) [3] |
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NNO |
Xzz |
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0.232 |
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0.26758(38) [1] |
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0.2694(18) [2] |
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0.238(5) [3] |
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NNO, the difference between
calculated and experimental
[1] nqcc's is 28 kHz (3.6 %). NNO, the difference is
36 kHz (13 %). |
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Molecular Structure, re [4] |
NN = 1.127292 Å |
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NO = 1.185089 Å |
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[1] J.M.L.J.Reinartz,
W.L.Meerts, and A.Dymanus, Chem.Phys. 31,19 (1978). |
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[2] K.H.Casleton and
S.G.Kukolich, J.Chem.Phys. 62,2696(1975). |
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[3] M.Sancho and M.D.Harmony,
J.Chem.Phys. 45,1812(1966). |
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[4] J-L.Teffo and A.Chédin,
J.Mol.Spectrosc. 135,389(1989). |
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A.Brown and R.E.Wasylishen,
J.Phys.Chem. A 116,9769(2012). Theoretical coupling constants. |
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M.Lacy and D.H.Wiffen, Mol.Phys.
45,241(1982): re(NN) = 1.12598(3) Å, re(NO)
= 1.18624(3) Å |
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J.L.Griggs, Jr., K.N.Rao, L.H.Jones, and R.M.Potter, J.Mol.Spectrosc. 25,34(1968): re(NN) = 1.12655(50) Å, re(NO)
= 1.18565(50) Å |
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PNO |
N2 |
PN |
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Table of Contents |
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Molecules/Nitrogen |
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NNO.html |
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Last
Modified 22 May 2003 |
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