Structural Determination of Menthol and Isomenthol, a Minty Compound and Its Nonminty Isomer, by Means of Gas Electron Diffraction Augmented by Theoretical Calculations

2003 ◽  
Vol 107 (15) ◽  
pp. 2757-2762 ◽  
Author(s):  
Toru Egawa ◽  
Minoru Sakamoto ◽  
Hiroshi Takeuchi ◽  
Shigehiro Konaka
Keyword(s):  
Electron Diffraction ◽  
Theoretical Calculations ◽  
Gas Electron Diffraction ◽  
Structural Determination

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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