HCCGeH3







 









Germanium


Nuclear Quadrupole Coupling Constants


in Germyl Acetylene


 








 


 





  








   








Table 1. 73Ge nqcc's in HCCGeH3 (MHz).
   









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


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

 









Calc. [a]

Calc. [b]
Expt. [1]
   








Xzz
- 33.21
- 32.81
+ 32.5

 








 








The 73Ge nqcc in germyl acetylene is negative [2].

 











Table 2. Structure parameters, ro [1] ( and degrees).
 


HC 1.056 (assumed)

CC 1.208

CGe 1.896

GeH 1.521

HGeH 109.9


 








 








[1] E.C.Thomas and V.W.Laurie, J.Chem.Phys. 44,2602(1966).

[2] W.C.Bailey, F.M.Gonzalez, and J.Castiglione, Chem.Phys. 260,327(2000).

 








 








GeH3F GeH3Cl GeH3Br



GeH3CN GeH3CH3




 








 








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Molecules/Germanium




 








 













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Last Modified 7 Oct 2004