dc.creator Roberts, J. A. en_US dc.creator Hajsaleh, J. en_US dc.date.accessioned 2006-06-15T18:57:16Z dc.date.available 2006-06-15T18:57:16Z dc.date.issued 1993 en_US dc.identifier 1993-WF-13 en_US dc.identifier.uri http://hdl.handle.net/1811/18700 dc.description $^{\ast}$This work supported in part by grant B-0842 of the Robert A. Welch Foundation, Houston, Texas. en_US dc.description Author Institution: Department of Physics, University of North Texas en_US dc.description.abstract A technique to calculate the rotational constants of molecules such as $CH_{3}CCH$ in various levels of the $\nu_{10}$ vibration and the $\nu_{3}$ vibrations of $CH_{3}CN$ for several isotopic species is presented. The moments of inertia and a computer iteration technique over experimental data for each isotopic species were employed to evaluate the constant A, in an excited vibrational state for these symmetric top molecule. Systematic differences are observed in the experimental and calculated values of the rotational constant A, for $CH_{3}CN$. The bending and stretch modes of the -CEX bond are explored to characterize this trend. Tam and Roberts made some tests on the $n \nu_{10}, n= 1,2,3,4$ vibrations of $CH_{3}CCH$ which showed some minor departures in that molecule as well. The scheme is applied to $^{13}C$ isotopic species of $CH_{3}CN$ to obtain a value of $A_{u}$ using both a quadratic and linear extrapolation. Linear and quadratic extrapolation of A, over vibrational levels indicate that the quadratic dependence is more favored. en_US dc.format.extent 82696 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title CALCULATION OF THE ROTATIONAL CONSTANTS A AND C FOR ISOTOPIC SPECIES OF SLIGHTLY PERTURBED SYMMETRIC TOP $MOLECULES^{\ast}$ en_US dc.type article en_US
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