SiO







 









Oxygen


Nuclear Quadrupole Coupling Constants


in Silicon Monoxide


 








 


 




 
 
Table 1. Caalculated 17O nqcc in SiO (MHz).
 
  eQq
 
  B1B95/6-311++G(3df,3p) 4.321
  B1LYP/6-311++G(3df,3p) 4.342
  B3LYP/6-311++G(3df,3p) 4.352
  MP4(SDQ)/6-311++G(3df,3pd) 4.248
 
 
 
Bond Length, re(SiO) = 1.5097560 Å [1].
 

 








[1] F.J.Lovas and E.Tiemann, J.Chem.Phys.Ref.Data 3,609(1974).
 
 
CO GeO
 

 








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Last Modified 24 Nov 2004