Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
CH3OCH3 | Dimethyl ether |
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 |
squib | reference |
---|---|
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 |