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HCl |
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Deuterium
and Chlorine |
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Nuclear
Quadrupole Coupling Constants |
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in
Hydrogen Chloride |
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Table 1. Deuterium and Chlorine
nqcc's in HCl (MHz). |
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Calc. |
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Expt. [1] |
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2H |
Xzz |
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0.1869 |
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0.18746(30) |
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35Cl |
Xzz |
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68.04 |
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67.60916(30) |
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37Cl |
Xzz |
- |
53.62 |
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53.278253(236) |
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The difference between calculated
and experimental 2H nqcc's is 0.6 kHz (0.31 %). |
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The difference between calculated and
experimental 35Cl nqcc's is 0.43 MHz (0.64 %).
For 37Cl, the difference is 0.35 MHz (0.65 %). |
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Bond
Length, re = 1.27456598 Å [1] |
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[1] Th.Klaus, S.P.Belov, and
G.Winnewisser, J.Mol.Spectrosc. 187,109 (1998). |
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"Hyperfine structure of the J = 1
<-- 0 and J = 2 <-- 1 transitions of D35Cl and D37Cl"
G.Cazzoli and C.Puzzarini, PCCP 6,5133(2004). |
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"Hyperfine structure of the J = 1
<-- 0 transition of H35Cl and H37Cl: improved
ground state parameters" G.Cazzoli and C.Puzzarini, J.Mol.Spectrosc.
226,161(2004). |
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P.R.Bunker, J.Mol.Spectrosc.
39,90(1971). re = 1.27460(5) Å. |
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"Vibrational-rotational dependence of
molecular properties, Electric
field gradients for HCl, LiCl, NaCl and KCl" M.Seth, M.Pernpointner,
G.A.Bowmaker, and P.Schwerdtfeger, Mol.Phys. 96,1767(1999). |
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HF |
HBr |
FCl |
Cl2 |
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Table of Contents |
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Molecules/Deuterium |
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Molecules/Chlorine |
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HCl.html |
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Last
Modified 28 May 2003 |
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