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Compare Experimental Geometries - experimental data

Species Name
CH3OCH3 Dimethyl ether
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCO 1.411 2003Nii/Hay:65 rs 1 2   
rCH 1.085 2003Nii/Hay:65 rs, H in COC plane 2 4   
rCH 1.099 2003Nii/Hay:65 rs, H out of COC plane 2 6   
aCOC 111.2 2003Nii/Hay:65 rs 2 1 3  
aHCO 107.1 2003Nii/Hay:65 rs, to H in COC plane 1 2 4  
aHCO 111.0 2003Nii/Hay:65 rs, to H out of COC plane 1 2 6  
aHCH 109.2 2003Nii/Hay:65 rs, from H in OCO plane to out of plane H 4 2 6  
aHCH 108.0 2003Nii/Hay:65 rs, between Hs out of OCO plane 6 2 7  

picture of
2003Nii/Hay:65 Y Niide, M Hayashi "Reinvestigation of microwave spectrum of dimethyl ether and rs structures of analogous molecules" J. Mol. Spec. 220 (2003) 65-79