THE DETERMINATION OF BARRIERS TO LINEARITY IN NOF, NOCl, AND NOBr FROM INFRARED SPECTRAL DATA

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/8571

Files Size Format View
1970-V-04.jpg 122.5Kb JPEG image

 Title: THE DETERMINATION OF BARRIERS TO LINEARITY IN NOF, NOCl, AND NOBr FROM INFRARED SPECTRAL DATA Creators: Brown, Farrell B.; Adams, George F. Issue Date: 1970 Publisher: Ohio State University 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. Description: $^{1}$K, Freed and J. Lombardi, J. Chem. Phys. 45, 591 (1966). This work was supported in part by the National Science Foundation."" Author Institution: Department of Chemistry, Clemson University; Department of Chemistry, University of North Carolina URI: http://hdl.handle.net/1811/8571 Other Identifiers: 1970-V-4