GeSe







 









Germanium


Nuclear Quadrupole Coupling Constants


in Germanium Selenide


 








 


 





  








   







Table 1. 73Ge nqcc's in GeSe (MHz).
   






Calc. [a] B3P86/6-311G(2d) model.
Calc. [b] B3PW91 /6-311G(2d) model.
 


Calc. [a]

Calc. [b]
Expt. [1,2]
   







Xzz 173.79 173.90 172.40(25) [1]
172.0681(13) [2]
 


 







 
Bond length, re(GeSe) = 2.1346561 Å [3], 2.1346291210(24) Å [2].

 








 








[1] J.Hoeft, F.J.Lovas, E.Tiemann, and J.Törring, J.Chem.Phys. 53,2736 (1970).
[2] B.M.Giuliano, L.Bizzocchi, R.Sanchez, P.Villanueva, V.Cortijo, M.E.Sanz, and J.-U.Grabow, J.Chem.Phys. 135,084303(2011).
[3] F.J.Lovas and E.Tiemann, J.Phys.Chem.Ref.Data 3,609 (1974).
 
 
GeO GeS
 

 








Table of Contents



Molecules/Germanium

 








 













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Last Modified 29 Oct 2012