Calculating (14)N(16)O2 spectral line parameters in an infrared range: A comparison of "global" and "local" effective operator methods.
Nitrogen dioxide, (14)N(16)O2, line positions and intensities calculated by us based on a "local" effective operator method are compared to the recent results of the "global" calculation. The comparison was made for theoretical absorption coefficients in the spectral range of 600-3700cm(-1) using the measured data taken from the Pacific Northwest National Laboratory. In order to conduct the calculations, empirical parameters of the effective rotational Hamiltonian of the twenty-one vibrational states were applied from the most recent experimental works. The second order parameters of the dipole moment function of (14)N(16)O2 were determined for the first time. The "local" line list in this research consists of one hundred and four bands and includes the line intensities of the v1+v2+v3 band of (14)N(16)O2 that have not yet been investigated in the literature. Among these bands, only eleven bands are included in HITRAN2012. The reasons behind the disagreements between the theoretical and measured absorption coefficients of (14)N(16)O2 are discussed.
Department of Quantum Electronics & Photonics, Faculty of Radiophysics, National Research Tomsk State University, 36 Lenin Ave., Tomsk 634050, Russia.
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Voitsekhovskaya
Department of Quantum Electronics & Photonics, Faculty of Radiophysics, National Research Tomsk State University, 36 Lenin Ave., Tomsk 634050, Russia; Academician V.D. Kuznetsov Siberian Physical-Technical Research Institute, 1 Novosobornaya Sq., Tomsk 634050, Russia. Electronic address: egorovolegv@mail.ru.
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Egorov
Academician V.D. Kuznetsov Siberian Physical-Technical Research Institute, 1 Novosobornaya Sq., Tomsk 634050, Russia.
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Kashirskii
Absorption coefficient; Dipole moment function; High temperatures; Nitrogen dioxide; Vibrational-rotational spectra