GaI







 









Iodine


Nuclear Quadrupole Coupling Constants


in Gallium Monoiodide


 








 


 





  








   







Table 1.   Iodine nqcc's in GaI (MHz).  Calc = B1LYP/6-311G(df,p).  Calculation  was made on re [2] structure.
 




Calc.
Expt. [1]
   







127I eQqo - 344.0 - 369.35(10)
 


 







 
   







Table 2.   Gallium nqcc's in GaI (MHz).  Calc = HF/TZV(2d).  Calculation  was made on re [2] structure.
 




Calc.
Expt. [1]
   







69Ga eQqo - 83.78 - 81.29(25)
 
71Ga eQqo - 52.80
 
 
 

Bond Length, re = 2.574689(31) Å [2]

 








 








[1] K.P.R.Nair and J.Hoeft, J.Mol.Spect. 85,301(1981).
[2] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974).
 
 

AlI GaF GaCl GaBr

 








 








Table of Contents




Molecules/Iodine



Molecules/Gallium

 








 













GaI.html






Last Modified 22 Sept 2009