# CALCULATION OF THE ROTATIONAL CONSTANTS A AND C FOR ISOTOPIC SPECIES OF SLIGHTLY PERTURBED $CH_{1}CN$ SYMMETRIC TOP MOLECULES

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 dc.creator Al-Share, M. en_US dc.creator Qian, S. W. en_US dc.creator Hajsaleh, J. en_US dc.creator Roberts, J. A. en_US dc.date.accessioned 2006-06-15T15:12:07Z dc.date.available 2006-06-15T15:12:07Z dc.date.issued 1992 en_US dc.identifier 1992-RA-08 en_US dc.identifier.uri http://hdl.handle.net/1811/12734 dc.description $^{*}$ This work supported in part by Grant B-0842 of the Robert A. Welch Foundation, Houston, Texas en_US dc.description Author Institution: Dept. of Phys., Mu'tah Univ.; Dept. of Phys., Peking Univ.; Dept. of Phys., Univ. North Texas en_US dc.description.abstract A technique employed earlier to calculate the rotational constants of $CH_{1}OCH$ is extended to the ground and two vibrational levels in the $v_{1}$ vibration of $CH_{1}CN$ for several isotopic species. The moments of inertia and a computer iteration technique over experimental data for each isotopic species were employed to evaluate the constant $A_{1}$ in an excited vibrational state for a symmetric top molecule. Several frames of reference were chosen and the vibrational configuration analyzed for each coordinate set. The angel of bending and the orientation of each molecular system in a reference frame fixed on the carbon atom at the û$C\equiv$N site were explore. The method, which was applied by Tam and Roberts to the nv, n=1, 2, 3, 4 vibrations of $CH_{3}OCH$ earlier and which was extended to the $v_{10} = 1$ vibration of $CH_{3}OCH$ with $^{n}C$ isotopic species, has been applied to $^{11}C$ isotopic species of $CH_{3}CN$ and seems to be a useful tool to extract the value of $A_c$. Values of $A_c$ over several vibrational levels have been calculated with different coordinate sets to establish a pattern for the HCH over vibrational levels. Values of A calculated from the geometrical model are in good agreement with those obtained by fitting the terms in the frequency equations, which contained A, to the experimental data through an iteration technique in which the value of A was allowed to vary. The values of A are compared to other published values. en_US dc.format.extent 148984 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 $CH_{1}CN$ SYMMETRIC TOP MOLECULES en_US dc.type article en_US