HCl







 









Deuterium and Chlorine


Nuclear Quadrupole Coupling Constants


in Hydrogen Chloride


 








 


 





  








   







Table 1. Deuterium and Chlorine nqcc's in HCl (MHz).
   










Calc.
Expt. [1]
   







2H Xzz
0.1869
0.18746(30)
 
35Cl Xzz - 68.04 - 67.60916(30)
 
37Cl Xzz - 53.62 - 53.278253(236)
 


 







The difference between calculated and experimental 2H nqcc's is 0.6 kHz (0.31 %).
   
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 %).
 
 

Bond Length, re = 1.27456598 Å [1]

 








 








[1] Th.Klaus, S.P.Belov, and G.Winnewisser, J.Mol.Spectrosc. 187,109 (1998).
 
"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).
"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).
P.R.Bunker, J.Mol.Spectrosc. 39,90(1971).  re = 1.27460(5) Å.
"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).
 
 

HF HBr FCl Cl2

 








 








Table of Contents




Molecules/Deuterium



Molecules/Chlorine

 








 













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Last Modified 28 May 2003