dc.creator Flygare, W. H. en_US dc.date.accessioned 2006-06-15T13:12:33Z dc.date.available 2006-06-15T13:12:33Z dc.date.issued 1963 en_US dc.identifier 1963-K-10 en_US dc.identifier.uri http://hdl.handle.net/1811/8256 dc.description $^{*}$Acknowledgment made to the National Science Foundation for support of this research. $^{1}$R. L. Redington, D. E. Millgan, J. Chem. Phys. 37, 2162 (1962). $^{2}$L. J. Schoen. D.E. Mann, C. Knobler, D. White, J. Chem. Phys. 37, 1146, (1962). en_US dc.description Author Institution: Noyes Chemical Laboratory, University of Illinios en_US dc.description.abstract “Recent experiments by Redington and $Milligan^{1}$ and Schoen, Mann, Knobler, and $White^{2}$ on the vibration-rotation spectra of $H_{2}O$ and HCl isolated at $4^{\circ}-20^{\circ} K$ in an argon lattice, focuses attention oil the nearly free rotation of these small molecules. A general theory is presented to describe the perturbation on the rotational energy levels of any molecule isolated in any crystalline or molecular lattice. If a lattice site of octahedral symmetry is specified, the dominant, term in the potential function is the interaction of the molecular hexadecapole moments (the number of hexadescapole components depends on molecular symmetry) with the fifth gradient of the electric potential, at the molecular center of mass, due to all of the lattice charges. The product of these two terms is the hexadecapole coupling constant similar to the quadrupole coupling constant. The calculation of the hexadecapole coupling constant from the molecular and atomic charge distributions will be discussed, The solution of the rotational dependence of a trapped molecule will be Outlined for linear, symmetric-top, and asymmetric-top molecules. The matrix isolation vibration-rotation data for the HCl in Ar $experiment^{2}$ has been analysed in detail using the above theory. Assuming octahedral symmetry for the molecular center of mass, the value of the Le moment of HCI can be obtained from the experimental data. In addition the vibration-rotation spectra of HCl trapped in Kr and Xe will be predicted prior to the experimental results.” en_US dc.format.extent 151160 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title THE THEORY OF MOLECULAR ROTATION OF TRAPPED MOLECULES IN RARE GAS $MATRICES^{*}$ en_US dc.type article en_US
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