dc.creator Brown, Farrell B. en_US dc.creator Adams, George F. en_US dc.date.accessioned 2006-06-15T13:22:06Z dc.date.available 2006-06-15T13:22:06Z dc.date.issued 1970 en_US dc.identifier 1970-V-4 en_US dc.identifier.uri http://hdl.handle.net/1811/8571 dc.description $^{1}$K, Freed and J. Lombardi, J. Chem. Phys. 45, 591 (1966). This work was supported in part by the National Science Foundation."" en_US dc.description Author Institution: Department of Chemistry, Clemson University; Department of Chemistry, University of North Carolina en_US dc.description.abstract The Hamiltonian operator derived by Freed and $Lombardi^{1}$ for a general three-body problem is simplified and transformed in order to study the vibration-rotation state of the three nitrosyl halids: NOF, NOCl and NOBr. In particular the bonds are assumed rigid and only K-type rotation is considered. A potential consisting of a quadratic term plus a Lorentzian hump at the linear configuration is employed and the variable describing the bending motion is the tangent of one-half the supplement of the valence angle. Solution of the resulting Schroedinger differential equation by the Frobenius method yields eigenvalues as the roots of a Hill-type determinant of the coefficients in a four-term recursion relation. Knowledge of two published transitions for the bending mode allows an evaluation of all potential constants and calculation of higher transitions. Agreement is good between observed and calculated transition for all isotopic species and the barrier heights are 37.74, 26.73, and 24.87 kcal/mole respectively for NOF, NOCl, and NOBr. en_US dc.format.extent 125535 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title THE DETERMINATION OF BARRIERS TO LINEARITY IN NOF, NOCl, AND NOBr FROM INFRARED SPECTRAL DATA en_US dc.type article en_US
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