Article ID Journal Published Year Pages File Type
5414906 Journal of Molecular Spectroscopy 2012 9 Pages PDF
Abstract
► Study of low-lying vibrational bands of 13C-dimethyl ether. ► A 3D Hamiltonian involving two CH3 internal rotors and the COC-bending is solved. ► A CCSD(T) potential energy surface already reported for the main species was used. ► Transition frequencies in the infrared and Raman spectra have been predicted. ► A symmetrization procedure different to a textbook approach is carried out.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Raman and infrared spectra of dimethyl ether 13C-isotopologue (CH3O13CH3) from a CCSD(T) potential energy surface
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