Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5376012 | Chemical Physics | 2008 | 8 Pages |
Abstract
The potential curve of the N2 ground state (X1Σg+) has been accurately reconstructed using the Rydberg-Klein-Rees (RKR) method extrapolated by a Hulburt and Hirschfelder potential for longer internuclear distances. Solving the corresponding radial Schrödinger equation yields 60 bound levels above v = 0, whose energies may be fitted by the following polynomial expansion: G(v)=âi=15ai(v+1/2)i, with the coefficients ai in cmâ1 equal to 2378.1, â18.516, 0.26662, â6.2127 Ã 10â3, and 3.4215 Ã 10â5, respectively, for i = 1-5. The effects of considering this more accurate potential on the vibrational distribution function of N2(X, v) molecules obtained in nitrogen microwave discharges and post-discharges are compared with previous calculations, using a smaller vibrational manifold.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
M. Lino da Silva, V. Guerra, J. Loureiro, P.A. Sá,