Calculation of radiative transition parameters for the band system of B^3 ∏_g-A^3 ∑_u^+ of N_2 molecule and 〖A^2∏〗_u-X^2 ∑_g^+ , B^2 ∑_u^+- X^2 ∑_g^+ , and B^3 ∏_g-A^3 ∑_u^+ systems of N_2^+ molecular ion using empirical potential energy functions
Subject Areas :
Farzanehsadat Ghalishourani
1
(Department of Chemistry, Faculty of Science, Islamic Azad University,
Vramin-Pishva Branch, P. O. Box: 33817-7489,Varamin, Iran)
Mahsasadat Miralinaghi
2
(Islamic Azad University, Tehran, Varamin-Pishva branch,)
Mohsen Shabani
3
(Department of Chemistry, Faculty of Science, Islamic Azad University,
Vramin-Pishva Branch, P. O. Box: 33817-7489,Varamin, Iran)
Keywords: potential energy curves, Franck-Condon factors, diatomic, empirical potential,
Abstract :
Detailed shape of the potential energy curve is peculiar to each diatomic molecule, so a universal potential function which gives a good representation for all bound electronic states of all diatomic molecules has not been yet constructed. In this study, some empirical potential functions such as Morse, Frost-Musulin, Wie-Hua, and Hulbert-Hirschfelder are constructed and used for the solving the nuclear Schrodinger equations of different electronic states in N2 and N_2^+ molecules. Level computer program which was based on Cooley-Numerove algorithm has been employed for carrying out the calculations. By comparison of obtained vibrational energies for A^3 ∑_u^+, X^1 ∑_g^+, B^3 ∏_g electronic states of N_2 and B^2 ∑^+, X^2 ∑_g^+, A2∏_u electronic states of N_2^+ with the experimental ones, the accuracy rate of potential functions is determined as well as their deviation percentages from RKR values. Furthermore, radiative parameters such as transition wavenumbers and Franck-Condon factors are calculated for the band system of B^3 ∏_g-A^3 ∑_u^+ of N_2 and for the band systems of A^2 ∏_u-X^2 ∑_g^+, B^2 ∑_u^+-X^2 ∑_g^+ , B^2 ∑_u^+-A^2 ∏_u of N_2^+.
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