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TOWARD A GLOBAL MODEL OF LOW-LYING VIBRATIONAL STATES OF CH$_3$CN: THE $v_4 = 1$ STATE AT 920 cm$^{-1}$ AND ITS INTERACTIONS WITH NEARBY STATES

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dc.creator Müller, Holger S. P. en_US
dc.creator Drouin, B. J. en_US
dc.creator Pearson, J. C. en_US
dc.creator Brown, L. R. en_US
dc.creator Kleiner, I. en_US
dc.creator Sams, R. L. en_US
dc.date.accessioned 2010-07-12T13:40:51Z
dc.date.available 2010-07-12T13:40:51Z
dc.date.issued 2010 en_US
dc.identifier 2010-RC-12 en_US
dc.identifier.uri http://hdl.handle.net/1811/45982
dc.description Author Institution: I. Physikalisches Institut, Universitat zu Koln, 50937 Koln; Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109, USA; LISA, Universi{te Paris 12 \& Paris 7 \& CNRS, 94010 Creteil, France; PNNL, Richland, WA 99352, USA en_US
dc.description.abstract Methyl cyanide, CH$_3$CN, is an important interstellar molecule, in particular in hot and dense molecular cores, and it may play a role in the atmospheres of planets or of Titan. Therefore, we have recorded extensive rotational and rovibrational spectra up to $\sim 1.6$\,THz and $\sim 1500$\,cm$^{-1}$, respectively. The present investigation extends our analysis of states with $v_8 \leq 2$ at vibrational energies below 740~cm$^{-1}$ and takes into consideration findings from an analysis of the $\nu _4$ band and the higher-lying $\nu _7$ (at $\sim$1042~cm$^{-1}$) and $3\nu _8 ^1$ (at $\sim$1078~cm$^{-1}$) bands. {\bf 160} (1993) 554$-$565.} The rotational data extend to $J = 87$ and $K = 15$, infrared assignments currently extend to 55 and 12, respectively. Parameters affecting only $v_7 = 1$ or $v_8 = 3$ as well as some additional interaction parameters were kept fixed to values from ($b$). The largest perturbations of $v_4 = 1$ are caused by a $\Delta k = 0$, $\Delta l = 3$ interaction with $v_8 = 3$ at $K = 8$. Despite the inclusion of the interaction parameter and a centrifugal distortion correction, residuals amount to more than 200~MHz very close to the resonance. Removal of these residuals probably requires explicit inclusion of $v_8 = 3$ data. Several additional perturbations exist at lower as well as higher $K$ with $v_8 = 2$, $v_7 = 1$ and $v_8 = 3$. Higher values of $K$ are difficult to reproduce in spite of an extensive set of distortion parameters which, at highest orders, have rather large magnitudes, possibly indicating unaccounted interactions which would probably occur with states even higher than $v_8 = 3$. en_US
dc.language.iso en en_US
dc.title TOWARD A GLOBAL MODEL OF LOW-LYING VIBRATIONAL STATES OF CH$_3$CN: THE $v_4 = 1$ STATE AT 920 cm$^{-1}$ AND ITS INTERACTIONS WITH NEARBY STATES en_US
dc.type Article en_US
dc.type Image en_US
dc.type Presentation en_US