# EFFECTS OF ASYMMETRIC DEUTERATION ON THE ROTATIONAL LEVEL STRUCTURE OF JAHN-TELLER ACTIVE METHOXY RADICALS

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/38106

Files Size Format View
abstract.gif 28.70Kb GIF image
WJ10_Asymmeth_mss09v03.ppt 746Kb Microsoft PowerPoint View/Open
Slide1.GIF 15.19Kb GIF image
Slide2.GIF 4.603Kb GIF image
Slide3.GIF 32.69Kb GIF image
Slide4.GIF 18.52Kb GIF image
Slide5.GIF 29.65Kb GIF image
Slide6.GIF 10.16Kb GIF image
Slide7.GIF 31.66Kb GIF image
Slide8.GIF 8.796Kb GIF image
Slide9.GIF 10.12Kb GIF image
Slide10.GIF 10.11Kb GIF image
Slide11.GIF 13.89Kb GIF image
Slide12.GIF 8.040Kb GIF image
Slide13.GIF 8.236Kb GIF image
Slide14.GIF 9.074Kb GIF image
Slide15.GIF 5.401Kb GIF image
Slide16.GIF 2.936Kb GIF image
Slide17.GIF 14.00Kb GIF image
Slide18.GIF 16.60Kb GIF image

 Title: EFFECTS OF ASYMMETRIC DEUTERATION ON THE ROTATIONAL LEVEL STRUCTURE OF JAHN-TELLER ACTIVE METHOXY RADICALS Creators: Melnik, Dmitry G.; Chen, Ming-Wei; Liu, Jinjun; Miller, Terry A.; Curl, Robert F.; Moore, C. Bradley Issue Date: 2009 Abstract: Recently the high resolution microwave, LIF and SEP spectra of the methoxy isotopologues of the C$_{3v}$ symmetry, $^{12}$CH$_3$O, $^{12}$CD$_3$O, and $^{13}$CH$_3$O have been analyzed, \textbf{130}, 074302, (2009)} $^,$, \textbf{130}, 074303, (2009)}. The data were globally fit to the effective rotational Hamiltonian (ERH), and the physical interpretation of its parameters has been given. In the present work we extend the studies of the rotationally resolved spectra of this Jahn-Teller active species to its asymmetrically substituted isotopologues. In these molecules the electronic wavefunction retains its threefold symmetry. Although the vibrational modes are no longer degenerate, the asymmetry induced by deuteration can be treated as a perturbation and the molecule can still be analyzed using theory similar to that which has been employed for the symmetric isotopologues. For this analysis we have used the ERH derived, \textbf{105}, 529 (2007)} for the internal axis system (IAS), whose $z-$axis is parallel to the C-O bond. The form of the ERH has been extended to include the effects of the Jahn-Teller distortion on the rotational and spin-rotational Hamiltonian in IAS axis system with a nondiagonal rotational tensor. The microwave, LIF and SEP transitions were globally fit to the extended form of the ERH. The resulting parameters are compared to the corresponding values derived from the parameters of the symmetric species using the isotopic relationships. For the most signidicant parameters, the first and the second order contributions are calculated. The results of this analysis will be presented. URI: http://hdl.handle.net/1811/38106 Other Identifiers: 2009-WJ-10