Dimethoxymethane relative energies

Calculated Relative Energies (kJ.mor ) of Stable Confonners of R OCHjOR with Respect to the (sc, sc) Rotauier Compared with Experimental Values for Dimethoxymethane... 

Detailed information about the anomeric effect has generally come from ab initio MO calculations. The principal rotamers of dimethoxymethane and their relative energies calculated at the HF/6-31G level are shown in Figure 2. The -l-sc,- -sc conformation is the global minimum, and it is interesting to note that it has the smallest dipole moment. The next to lowest energy conformer is +sc,trans, with a relative energy of 10.0 kJ mol" and a dipole moment of 2D. The -Hsc,- -sc conformer corresponds to axial 2-methoxytetra-hydropyran, and +sc,trans corresponds to the equatorial methoxy counterpart. 

Figure 2 Structures of conformers of dimethoxymethane. The relative energies are given in kcal mol permission of the American Chemical Society...

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