SnS







 









Sulfur


Nuclear Quadrupole Coupling Constants


in Tin Monosulfide


 








 


 




 
   







Table 1. 33S nqcc's in 120SnS (MHz).
   






Calc (a) = B3LYP/TZV+(3df,3p)(S)/def-2-TZVP(Sn)
Calc (b) = B3LYP/def-2-QZVP
 




Calc.
 Expt. [1]
   







33S eQq
3.30 (a)
3.6556(19)
3.15 (b)
 
 
 
Bond length, re = 2.2090528(3) [2]
 
 
[1] H.O.Leung and M.D.Marshall, J.Mol.Spectrosc. 265,52(2011).
[2] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609(1974).
 
 
CS GeS SiS
 

 








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Molecules/Sulfur

 








 













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Last Modified 21 Jan 2011