laplacian of charge density
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2003 ◽  
Vol 58 (12) ◽  
pp. 1165-1170 ◽  
Author(s):  
Sergey S. Karlov ◽  
Elmira Kh. Yakubova ◽  
Ekaterina V. Gauchenova ◽  
Anastasia A. Selina ◽  
Andrei V. Churakov ◽  
...  

The reaction of GeHal4 with MeN(CH2CH2OSiMe3)2 affords dihalogermocanes MeN(CH2 CH2O)2GeHal2 (1, Hal = Br; 2, Hal = Cl). Treatment of Me2Ge(NMe2)2 with MeN(CH2CH2OH)2 leads to dimethylgermocane MeN(CH2CH2O)2GeMe2 (3). The composition and structure of 1-3 were established by elemental analyses, 1H, 13C NMR spectroscopy, and mass spectrometry. The crystal structure of 1 is reported; structural data obtained from geometry DFT optimization on 1 are in good agreement with experimental results. Values of the electron density in the N→Ge bond critical point and the Laplacian of charge density for 1-3 indicate a closed-shell interaction between the Ge and N atoms.


1993 ◽  
Vol 97 (24) ◽  
pp. 6362-6366 ◽  
Author(s):  
Carles Bo ◽  
Jose Pedro Sarasa ◽  
Josep Maria Poblet

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