Abstract
The rotational spectrum of 2,6-dimethylcyclohexanone (DMCHO) was measured in the frequency region from 6 to 12GHz. Among three possible conformational isomers, two conformers were identified where two methyl groups are aligned in the equatorial/equatorial (ee) and the equatorial/axial (ea) positions. Both b-type and c-type transitions for (e,e)-2,6-DMCHO, and a-type, b-type, and c-type transitions for (e,a)-2,6-DMCHO were assigned to determine the rotational constants and quartic centrifugal distortion constants based on the Watson-A reduction Hamiltonian: (ee) A=2150.95789(48)MHz, B=1578.76212(40)MHz, C=990.19141(45)MHz, ΔJ = 0.086(11)kHz, ΔJK=−0.134(20)kHz, ΔK=0.298(15)kHz, δJ = 23.4(24)Hz, and δK=101.4(77)Hz; and (ea) A=2082.62538(83)MHz, B=1566.59564(59)MHz, C=1113.90153(75)MHz, ΔJ = 0.066(23)kHz. In addition, dipole moment components of the two isomers were determined by Stark effect measurements: (ee) μb=2.6673(12) D, μc=1.0379(11) D, μtotal=2.8621(12) D; and (ea) μa=1.385(253) D, μb=2.358(104) D, μc=1.172(21) D, μtotal=2.975(144) D. Ab initio calculations for all three isomers were compared with each other and with experimental results.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
