Впервые с помощью Фурье-спектрометра Bruker IFS-125M с разрешением 0,0056 см-1зарегистрирован спектр молекулы 14N17O в области 5200–5550 см-1. Анализ спектра позволил обнаружить 83 колебательно-вращательные линии полосы 3–0 для основных переходов в электронном состоянии Х2Pмолекулы 14N17O. Для 29 L-дублетов определены положения и относительные интенсивности каждой из компонент. Найдены параметры L-удвоения. Для оставшихся неразрешенных 25 дублетов также определены положения и относительные интенсивности центра дублета. Максимальное значение вращательного квантового числа Jравно 24,5. Найденные экспериментальные положения линий в полосе 3–0 подтвердили корректность рассчитанных положений линий, приведенных в базе данных ExoMol. Проведена обработка частот зарегистрированных переходов, взвешенных в соответствии с экспериментальными погрешностями, и определены спектроскопические постоянные для колебательного состояния v = 3. С найденными постоянными выполнены предсказательные расчеты волновых чисел вращательных уровней колебательного состояния v = 3 до J = 30,5 и частот переходов в колебательной полосе 3–0 для электронных состояний 2P1/2и 2P3/2. Расчеты показали согласие с данными, приведенными в базе данных ExoMol, в пределах указанной погрешности. The absorption spectrum of the 14N17O molecule in the range 5200–5550 cm-1was recorded for the first time using a Bruker IFS-125M Fourier spectrometer with a spectral resolution of 0.0056 cm-1. An analysis of the spectrum made it possible to detect 83 vibrational-rotational lines of the 3–0 band of the main transitions in the X2Pelectronic state of the 14N17O molecule. For 29 resolved doublets, the positions and relative intensities of each component of a doublet are determined. The spectroscopic L-parameters are found. For the remaining 25 unresolved doublets, the positions and relative intensities of the doublet center are also determined. The maximum of the rotational quantum number Jwas 24.5. The found experimental line positions in the 3–0 band confirmed the calculated data given in the ExoMol database. The frequencies of registered transitions weighted in accordance with experimental uncertainties have been processed, and the spectroscopic constants for the vibrational state v = 3 have been determined. With the found spectroscopic constants, predictive calculations were made of the rotational energy term values up to J = 30.5 in the vibrational state v = 3 and, accordingly, the transition frequencies of the 3–0 vibrational band for 2P1/2and 2P3/2electronic states. The calculations performed showed agreement with the data given in the ExoMol database, within the error specified.

The absorption spectrum of 14 N 18 O molecule in the 5200–5500 сm −1 region was recorded for the first time using a Bruker IFS 125M Fourier spectrometer with a spectral resolution of 0.0056 сm −1 . The analysis of the spectrum made it possible to detect the vibrational–rotational lines of the 3–0 band of the main transitions in the X 2 Π electronic state of the 14 N 18 O molecule. For the main 2 Π 1/2 – 2 Π 1/2 and 2 Π 3/2 – 2 Π 3/2 transitions, positions of 102 lines from a Λ-doublet were recorded in three branches. The positions and relative intensities of each component of the doublet were determined for 61 resolved doublets. The maximal rotational quantum number J was 29.5. The experimental line positions in the 3–0 band confirm the calculated data presented in HITRAN database. The frequencies of recorded transitions, weighted in accordance with experimental uncertainties, were processed, and the spectroscopic constants were determined for the vibrational state v = 3. With the found spectroscopic constants, we predicted the rotational energy values up to J = 35.5 for the vibrational state v = 3 and transition frequencies in the 3–3 and 3–0 vibrational bands for the 2 Π 1/2 and 2 Π 3/2 electronic states. The calculation results agree with the data given in HITRAN within the error specified in this database.

The absorption spectrum of the 14N17O molecule was recorded in the 5200–5550 cm−1 range for the first time using a Bruker IFS-125M Fourier spectrometer with a spectral resolution of 0.0056 cm−1. The analysis of the spectrum made it possible to detect 83 vibrational-rotational lines of the 3–0 band of the fundamental transitions in the X 2Π electronic state of the 14N17O molecule. For 29 resolved doublets, the positions and relative intensities of each component of a doublet are determined; the spectroscopic Λ-parameters are found. For the remaining 25 unresolved doublets, the positions and relative intensities of the doublet center are determined. The maximal rotational quantum number J was 24.5. The experimental line positions in the 3–0 band confirmed the calculated data given in the ExoMol database. The frequencies of recorded transitions weighted in accordance with experimental uncertainties have been processed, and the spectroscopic constants for the vibrational state v = 3 have been determined. With the found spectroscopic constants, the rotational energy up to J = 30.5 in the vibrational state v = 3 and the transition frequencies in 3–0 vibrational band for 2Π1/2 and 2Π3/2 electronic states were predictive calculated. The calculations showed agreement with the data given in the ExoMol database within a specified error.

A global treatment of the available experimental data on transition frequencies both in the A2Σ+state and in the A2Σ+−X2Π, and B2Σ+−A2Σ+ electronic systems of 16OH molecule was carried out. In this analysis, a global model with vibrational dependences of the parameters of the effective Hamiltonian for the diatomic molecule in different electronic state was used. As a result of the fit, a set of the ‘Dunham-type’ coefficients for A2Σ+ electronic state was obtained. They reproduce the experimental dataset within estimated experimental uncertainties. The determined ‘Dunham-type’ coefficients were employed to generate the potential energy curve in the A2Σ+ electronic state using the RKR method.

Впервые зарегистрирован спектр поглощения молекулы 14N18O в области 5200-5500 см-1 с помощью Фурье-спектрометра Bruker IFS 125M со спектральным разрешением 0,0056 см-1. Анализ спектра позволил обнаружить колебательно-вращательные линии полосы 3-0 основных переходов в электронном состоянии Х2П молекулы 14N18O. Для основных переходов 2Π1/2 - 2Π1/2 и 2Π3/2 - 2Π3/2 зарегистрировано 102 положения линий Λ-дублетов в трех ветвях. Для 61 разрешенного дублета определены положения и относительные интенсивности каждой компоненты дублета. Максимальное вращательное квантовое число J = 29,5. Найденные экспериментальные положения линий в полосе 3-0 подтвердили рассчитанные данные, приведенные в базе данных HITRAN. Проведена обработка частот зарегистрированных переходов, взвешенных в соответствии с экспериментальными погрешностями, и определены спектроскопические постоянные для колебательного состояния v = 3. С найденными спектроскопическими постоянными выполнены предсказательные расчеты волновых чисел вращательных уровней колебательного состояния v = 3 до J = 35,5 и, соответственно, частот переходов в колебательных полосах 3-3 и 3-0 для электронных состояний 2Π1/2 и 2Π3/2. Результаты расчетов показали согласие с данными, приведенными в HITRAN, в пределах указанной в базе данных погрешности. The absorption spectrum of 14N18O molecule in the 5200-5500 cm-1 range was recorded for the first time using a Bruker IFS 125M Fourier spectrometer with a spectral resolution of 0.0056 cm-1. The analysis of the spectrum made it possible to detect the vibrational-rotational lines of 3-0 band of the main transitions in X2Π electronic state of 14N18O molecule. For the main transitions 2Π1/2 - 2Π1/2 and 2Π3/2 - 2Π3/2, 102 line positions of Λ-doublet in three branches were registered. For 61 resolved doublets, the positions and relative intensities of each component of a doublet were determined. The maximum value of the rotational quantum number J was 29.5. The found experimental line positions in 3-0 band confirmed the calculated data given in HITRAN database. The frequencies of registered transitions, weighted in accordance with experimental uncertainties, have been processed, and the spectroscopic constants for the vibrational state v = 3 been determined. With the found spectroscopic constants, we predicted the rotational energy values up to J = 35.5 for the vibrational state v = 3 and, accordingly, the transition frequencies in 3-3 and 3-0 vibrational bands for 2Π1/2 and 2Π3/2 electronic states. The calculations performed showed agreement with the data given in HITRAN within the error specified in this database.

The spectrum of the 15N16O molecule is recorded in the 5200–5500 сm−1 region and analyzed. As a result of the analysis, 150 Λ-doublets of vibration–rotational lines were found in the 3–0 band of the main transitions between the 2Π1/2 and 2Π3/2 electronic states. For 108 of them, with the splitting value higher than 4.5 × 10−3 сm−1, positions and relative intensities of each component of the doublet were found with the self-broadening parameter fixed to the value from HITRAN2020 and the equal intensities of the e and f components. The maximal value of the rotational quantum number J was 30.5. The transition frequencies recorded and weighted in accordance with the experimental uncertainties were processed by the program code using the nonlinear least-squares method. As a result of processing, the spectroscopic constants for the v = 3 vibrational state of the 15N16O isotopologue were found. The Λ-doubling constants for this state are determined for the first time. The results are compared with the well-known database of spectroscopic information HITRAN2020.

A global treatment of the available experimental data on infrared and microwave transitions of 33 vibration-rotation bands for the ground state and the data on the electronic system B2Σ+-X2Π of 16OH molecule was carried out. In this analysis, a global model with vibrational dependences of the parameters of the effective Hamiltonian for the diatomic molecule in the 2Π electronic state was used. As a result of the fit, a set of the ‘Dunham-type’ coefficients was obtained. They reproduce the experimental dataset of the rovibrational and pure rotational transitions as well as the data on the electronic system B2Σ+ - X2Π, within estimated experimental uncertainties. The determined ‘Dunham-type’ coefficients were compared with those known previously.

Dunham type parameters obtained from global processing of experimental vibrational–rotational and rotational transition frequencies of 14N16O and 16OH molecules are used for constructing RKR curves of potential energy. Pointwise defined potentials are approximated by expansions in the variable $${{z}_{S}} = (r - {{r}_{e}}){\text{/}}r$$ . Potential energy functions of the abovementioned molecules are calculated nonempirically using the Molpro software. The obtained results are compared with literature data.

The global processing of a set of observed positions of spectral lines in the A2Σ+→X2П, B2Σ+→A2Σ+, and A2Σ+→A2Σ+ electronic transitions, collected from available literature has been performed. The analysis is based on a global model, which assumes the vibrational dependence of the parameters of the effective Hamiltonian for a given electronic state. As a result of processing a more extensive data set, new parameters of the "Dunham" type were obtained for the A2Σ+ electronic state, which make it possible to simulate the vibrational-rotational energy levels for the OH radical in the A2Σ+ electronic state.

The global processing of a set of experimental frequencies of electronic-vibrational-rotational transitions collected from available literature has been performed. As a result of global processing, involving the vibrational dependence of the parameters, "Dunham type" coefficients were found for A2Σ and molecular constants for the B2Σ, C2Σ electronic states of the 16OH radical.

In this work, molecular parameters of the Dunham type, obtained from the global processing of the experimental vibrational-rotational and rotational transition frequencies of ^{14}N^{16}O and ^{16}OH molecules, were used to construct the RKR potential energy curves. Pointwise defined potentials were approximated by the expansions in variable z_{S}=(r-r_{e})/r. Ab initio calculations of the potential energy functions of these molecules were carried out using the MOLPRO program. Comparisons of the obtained results with those known from the literature are given.

The global processing of a set of experimental frequencies of electronic-vibrational-rotational transitions collected from available literature has been performed. As a result of global processing, involving the vibrational dependence of the parameters, "Dunham type" coefficients were found for A(2)Sigma and molecular constants for the B-2 Sigma, C-2 Sigma electronic states of the (OH)-O-16 radical.

The results of critical evaluation of measured rotation-vibration line positions of 16OH in the X2 Π state are presented. The analysis was carried out using the fundamental Rydberg-Ritz combination principle, for the available experimental data in the spectral range 101-10358 cm-1. As a result, the precise set of 990 experimental energy levels of OH molecule in the interval 0-35665 сm-1 was obtained. Comparisons with the HITRAN and with known calculated energy levels are discussed.

A global treatment of the available experimental data of infrared transitions, far infrared transitions, and microwave transitions of 38 vibration-rotation bands for the ground state of (NO)-N-14-O-16 molecule was carried out. In the analysis, a global model with vibrational dependences of the parameters of the effective Hamiltonian for the diatomic molecule in (2)Pi electronic state was used. As a result of the fit, a set of the 'Dunham-type' molecular parameters was obtained. They reproduce the dataset of the experimental energy levels with experimental precision. The found set of the parameters was compared with the previous set determined by C. Amiot. [GRAPHICS] .

All available line positions for unresolved and resolved Lambda-doublets of the (NO)-N-14-O-16 molecule in the X-2 Pi state were collected from the literature and tested using the RITZ computer code. These data have been critically analysed and used to obtain the most complete set of 1789 experimental energy levels of unresolved Lambda-doublets covering the 0-35,866 cm(-1) interval. A set of 425 experimental energy levels of resolved Lambda-doublets covering the 0-5957 cm(-1) interval for two states (2)Pi(1/2) and (2)Pi(3/2) also have been obtained. These levels together with calculated correlation matrix can be used to generate the precise list of transitions with confidence intervals. Comparisons with the HITRAN as well as with Amiot calculations are discussed. The systematic shift between experimental energy levels of unresolved A-doublets and those calculated by Amiot for (2)Pi(3/2) state was found. The same systematic shift for transitions frequencies of unresolved A-doublets in forbidden subbands (2)Pi(1/2)<->(2)Pi(3/2) is also established in the HITRAN database. Comparison of the RITZ energy levels with calculated energy levels by Wong at al. was also done. It was found, that experimental RITZ energy levels for resolved A-doublets of (NO)-N-14-O-16 coincide with those calculated by Wong at al. within experimental uncertainties. (C) 2018 Elsevier Ltd. All rights reserved.

The global fitting of the experimental energy levels of unresolved Lambda-doublets for the ground state of (NO)-N-14-O-16 molecule is done. The dataset of 1789 experimental energy levels covering the 0-35665 cm(-1) interval for 23 vibrational states was obtained using the fundamental Rydberg-Ritz combination principle. A global model of analysis with vibrational dependences of the parameters of the effective Hamiltonian was used for the theoretical treatment of the diatomic molecule in (2)Pi electronic state. As a result of the fit a set of the "Dunham-type" molecular parameters was obtained. They reproduce the dataset of the experimental energy levels to the precision of the experimental ones. The found set of the parameters was compared with previous set determined by C. Amiot.

This paper presents the results of calculation the LMR spectrograms of NO molecule in a variable magnetic field with maximum induction up to 6T for probed CO laser lines. For the simulation of the LMR spectrum a numerical model was developed. This model is based on the numerical diagonalization the matrix of the effective molecular Hamiltonian, which includes Zeeman operator corresponding to interaction an external magnetic field with NO molecule. The comparison of calculated and experimental spectrograms has shown that the numerical model is very reliable and can reproduce the location of absorption peaks measured in a damped oscillating magnetic field.

The paper presents an overview of experimental and theoretical results, which were obtained from the study of the dependence of Zeeman splitting of the vibrational-rotational lines of the 0–1 band of the nitric oxide molecule absorption spectra on the magnetic field magnitude. The experiments were performed at the Laboratory of Gas Lasers of P.N. Lebedev Physical Institute, Russian Academy of Sciences (FIAN). The method of laser magnetic resonance (LMR) with the use of a continuous-wave frequency-tunable CO laser were used to record the spectra. The theoretical analysis of LMR spectrograms was carried out at the Laboratory of Theoretical Spectroscopy of V.E. Zuev Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences (IAO SB RAS), where the numerical model was developed based on construction of the total effective Hamiltonian of the molecule accounting the interaction with an external magnetic field. The model allows calculation of LMR spectra under given conditions and description of the nonlinear dependence of splitting of rovibrational energy levels on the magnetic field magnitude. The comparison of calculated and experimental LMR spectrograms has shown that the numerical model adequately reproduces the positions of absorption peaks measured in a damped oscillating magnetic field.

The results of critical evaluation of measured rotation-vibration line positions of (OH)-O-16 in the X-2 Pi state are presented. The analysis was carried out using the fundamental Rydberg-Ritz combination principle, for the available experimental data in the spectral range 101-10358 cm(-1). As a result, the precise set of 990 experimental energy levels of OH molecule in the interval 0-35665 cm(-1) was obtained. Comparisons with the HITRAN and with known calculated energy levels are discussed.

The results of the LMR spectra calculation in the 0-1 band of the NO molecule are presented. For the simulation of the spectra in a strong magnetic field the special numerical model was developed. This model allows one to calculate the dependence of Zeeman splitting of ro-vibrational lines of the NO molecule on the intensity of a strong magnetic field. The analysis of temporal behavior of the absorption coefficients of CO laser radiation on thirteen lines in the variable magnetic field was done.