A. Spelbos, F. Mijlhoff, G. Renes
Mar 1, 1978
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Influential Citations
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Journal
Journal of Molecular Structure
Abstract
Abstract The structure of 1,1,1-trimethoxyethane has been studied by electron diffraction in the gas phase. Although this technique cannot discriminate between a GGG (point symmetry C 3 ) and a TGG ( C 1 ) conformation, vibrational spectra indicate that in the gas phase the C 1 conformer is predominant. Constraints necessary for a satisfactory leastsquares refinement were obtained from molecular mechanics calculations. The molecular geometry as obtained from r α -refinements is as follows ( r g distances, r α angles; standard deviations in parentheses): r (C-O central = 1.398 (6) A, r (C-O) terminal = 1.431(6)A, r (C-C) = 1.527 (6) A, r (C-H) = 1.114 (1) A, ∠(C-O-C) = 114.0 (4)°, ∠(O-C-H) = 110.7 (4)°; the C-C-O and O-C-0 angles around the central carbon range between 106.6° and 113.1°.