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HF |
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Deuterium |
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Nuclear
Quadrupole Coupling Constants |
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in Hydrogen Fluoride |
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Table 1. Deuterium nqcc's in HF (kHz). |
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Calc. |
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Expt. [1] |
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2H |
eqQ |
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355.3 |
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354.238(78) |
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The difference between calculated and experimental nqcc's is
1.1 kHz (0.31%). |
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Bond
Length, re = 0.916914 Å [2] |
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[1] J.S.Muenter and W.Klemperer, J.Chem. Phys. 52,6033(1970). |
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[2] F.C.DeLucia, P.Helminger, and W.Gordy,
Phys.Rev.A 3,1849 (1971). |
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Related ... |
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"Improved ground state rotational
parameters of deuterium fluoride, DF" G.Cazzoli, C.Puzzarini,
F.Tamassia, S.Borri, and S.Bartalini, J.Mol.Spectrosc. 235,263(2006). eqQ(D) = 354.4(20) kHz. |
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"The Lamb-dip spectrum of the J = 1 <__
0 transition of DF: Crossing resonances and hyperfine components" G.Cazzoli
and C.Puzzarini, J.Mol.Spectrosc. 231,124(2005). eqQ(D) = 354.4(35) kHz. |
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"The accurate determination of
molecular equilibrium structures" K.L.Bak, J.Gauss, P.Jørgensen,
J.Olsen, T.Helgator, and J.F.Stanton, J.Mol.Spectrosc. 114,6548(2001).
re = 0.9169 Å. |
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HD |
DCl |
DBr |
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Table of Contents |
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Molecules/Deuterium |
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HF.html |
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Last
Modified 28 May 2003 |
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