Structure and conformations of 1,1,1-trifluoromethanesulfenylamine, CF 3 SNH 2 . Gas electron diffraction, microwave spectroscopy and theoretical calculations

1999 ◽  
Vol 485-486 ◽  
pp. 163-173 ◽  
Author(s):  
M. Asimus ◽  
S. Schühle ◽  
D. Christen ◽  
H. Møllendal ◽  
C.O.Della Vedova ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Theoretical Calculations ◽  
Microwave Spectroscopy ◽  
Gas Electron Diffraction

Structures of 1,2-dimethylhydrazine conformers as determined by microwave spectroscopy and gas electron diffraction

1981 ◽  
Vol 83 (2) ◽  
pp. 246-249 ◽  
Author(s):  
Munetaka Nakata ◽  
Harutoshi Takeo ◽  
Chi Matsumura ◽  
Kaoru Yamanouchi ◽  
Kozo Kuchitsu ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Microwave Spectroscopy ◽  
Gas Electron Diffraction

scholarly journals Silacyclohexanes, Sila(hetero)cyclohexanes and Related Compounds: Structure and Conformational Analysis

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1624 ◽  
Author(s):  
Bagrat A. Shainyan
Keyword(s):  
Nmr Spectroscopy ◽  
Electron Diffraction ◽  
Low Temperature ◽  
Conformational Analysis ◽  
Gas Phase ◽  
Theoretical Calculations ◽  
Gas Electron Diffraction ◽  
Experimental Measurements ◽  
Related Compounds

Conformational analysis of Si-mono- and Si,Si-disubstituted silacyclohexanes as well as their analogues with a heteroatom(s) in the ring is reviewed with the focus on the recent results. Experimental measurements in the gas phase (gas electron diffraction, GED) and low temperature NMR spectroscopy (LT NMR) on 1H, 13C and 29Si nuclei are described along with theoretical calculations at the DFT and MP2 levels of theory. Structural and conformational specific features are shown to be principally different from those of the carbon predecessors—the corresponding cyclohexanes, oxanes, thianes and piperidines. The role of various effects (steric, hyperconjugation, stereoelectronic, electrostatic) is demonstrated.

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