Line intensities of the asymptotic asymmetric-top radical HO_2 at high temperatures

The total internal partition sums were calculated in the product approximation at temperatures up to 5000 K for the asymptotic asymmetric-top HO2 molecule. The calculations of the rotational partition function and the vibrational partition function were carried out with the rigid-top model and in the harmonic oscillator approximation, respectively. Our values of the total internal partition sums are consistent with the data of HITRAN database with -0.14% at 296 K. Using the calculated partition functions, we have calculated the line intensities of υ2 band of HO2 at several high temperatures. The results showed that the calculated line intensities are in very good agreement with those of HITRAN database at temperatures up to 3000 K, which provides a strong support for the calculations of partition functions and line intensities at high temperatures. Then we have extended the calculation to higher temperatures. The simulated spectra of υ2 band of the asymptotic asymmetric-top HO2 molecule at 4000 and 5000 K are also obtained.

Rotational analysis and line intensities of the HCO ~2A′-~2A′3_1~1 band at 296 K

This paper computes the rotational energy levels of the HCO B^2A＇-X^2A＇31^1 transition, especially, the higher values of the rotational quantum numbers NKa Kc and Ka, with the rotational constants which are obtained via B3LYP method with 6-311G basis set, and the results show that the calculated frequencies using the computed vibration-rotation energy levels are in reasonable agreement with the data from the experiment. Meanwhile, the line intensities of HCO are first reported, the results are of significance for the studying HCO.

Electric dipole moment function and line intensities for the ground state of carbon monxide

An accurate electric dipole moment function(EDMF) is obtained for the carbon monoxide(CO) molecule(X1+Σ)by fitting the experimental rovibrational transitional moments. Additionally, an accurate ab initio EDMF is found using the highly accurate, multi-reference averaged coupled-pair functional(ACPF) approach with the basis set, aug-cc-p V6 Z, and a finite-field with ±0.005 a.u.(The unit a.u. is the abbreviation of atomic unit). This ab initio EDMF is very consistent with the fitted ones. The vibrational transition matrix moments and the Herman–Wallis factors, calculated with the Rydberg–Klein–Rees(RKR) potential and the fitted and ab initio EDMFs, are compared with experimental measurements. The consistency of these line intensities with the high-resolution transmission(HITRAN) molecular database demonstrates the improved accuracy of the fitted and ab initio EDMFs derived in this work.

Balmer H_α,H_β and H_γ Spectral Lines Intensities in High-Power RF Hydrogen Plasmas

Hα（Balmer-alpha）, Hβ （Balmer-beta） and Hγ （Balmer-gamma） spectral line inten- sities in atomic hydrogen plasma are investigated by using a high-power RF source. The intensities of the Hα, Hβ and Hγ spectral lines are detected by increasing the input power （0-6 kW） of ICPs （inductively coupled plasmas）. With the increase of net input power, the intensity of Hα im- proves rapidly （0-2 kW）, and then reaches its dynamic equilibrium; the intensities of Hβ can be divided into three processes： obvious increase （0-2 kW）, rapid increase （2-4 kW）, almost constant （4-6 kW）; while the intensities of Hγ increase very slowly. The energy levels of the excited hydro- gen atoms and the splitting energy levels produced by an obvious Stark effect play an important role in the results.

Revising the H_(2)^(16)O line-shape parameters around 1.1μm based on the speed-dependent Nelkin–Ghatak profile and the Hartmann–Tran profile

Accurate spectroscopic data for H_(2)^(16)O in the 1.1μm region are particularly important for the study of Earth's atmosphere.The pure water vapor molecular spectra were measured based on direct laser absorption spectroscopy using a narrow line-width external cavity diode laser combined with a high-precision Fabry-Pérot etalon.A total of 31 H_(2)^(16)O transitions were studied for the first time by using the speed-dependent Nelkin-Ghatak profile and the Hartmann-Tran profile.From an accurate line-shape analysis,we obtained the line intensities and the self-broadening coefficients,and they are compared with the available data reported in the HITRAN 2016 database and the HITRAN 2020 database.Finally,we obtained information on the influence of Dicke narrowing,as well as the correlations between Dicke narrowing and speed dependence,and of speed-dependent effects.

A Study on Argon Inductively Coupled Plasma with Introduction of Ethanol SolutionⅠ.Effect of Ethanol on Line Intensity of Rare Earth Elements

Effect of ethanol on corrected intensity,i.e.the intensity corrected for the rate at which an analyte solution enters ICP,of lines of 10 rare earth elements,Mg,Fe and Cd have been studied,Compared to the aqueous case, the introduction of an ethanol solution results in a decrease in corrected intensity.For all the ionic lines and the atomic lines of Cd,the corrected intensities decrease steadily with increasing ethanol concentration from 0 to 95 vol%.while for the atomic lines of the other elements,the corrected intensities have minima at certain ethanol concentration.For a given element,the higher the excitation energy of a line,the greater the decrease in the corrected intensity with the introduction of ethanol,The depression of corrected intensity by ethanol is linearly related to excitation energy.The above results have been used for identifying the ionization states of 38 lines of rare earth elements and estimating their excitation energies.

The intensity calculation of the gas absorption line by multi-line Voigt fitting

Adopted the distribution feedback type （DFB） laser to measure the coal mine gas methane, according to the methane located 1.6 μm nearby 2v3 with a R9 direct absorption spectrum, attraction wire intensity of each line was calculated through the multi-line Voigt fitting. The experimental result indicates that in the obtained four attraction recover of wire, the maximum deviation is 2.7%, and the minimum deviation is 0.02%, other results are all in experimental error scope. This research method may apply in the spectrum survey methane gas density, it has characteristics including high precision, strong selectivity, fast response and so on.

High Temperature Spectrum for v3 Band of Carbon Dioxide

The total internal partition sums （TIPS） are calculated at the temperature up to 6000 K for 12 C16 02. Using the calculated partition functions, we produce the line intensities of v3 band of 12C1602 at several high temperatures. The results show that the calculated line intensities are in very good agreement with those of HITRAN database at the temperature up to 3000 K, which provides a strong support for the calculations of TIPS and line intensities at high temperature. Then the calculation is extended to further high temperature, and the simulated spectra of u3 band of 12C1602 at 5000 and 6000 K are reported.

Study on high-temperature spectra of asymptotic asymmetric-top radical SiO_2

Total internal partition sums are calculated in the product approximation at temperatures up to 6000K for the asymptotic asymmetric-top SiO2 molecule. The rotational partition function and the vibrational partition function are calculated with the rigid-top model and in the harmonic oscillator approximation, respectively. Our values of the total internal partition sums are consistent with the calculated value in the Gaussian program within $-0.137$% at 296K. Using the calculated partition functions and the rotationless transition dipole moment squared as a constant, we calculate the line intensities of 001--000 band of SiO2 at normal, medium and high temperatures. Simulated spectra of the 001--000 band of the asymptotic asymmetric-top SiO2 molecule at 2000, 5000 and 6000K are also obtained.

Study on High-Temperature Spectra of Asymptotic Asymmetric-Top Molecule O_3

The line intensities of 001-000 transition of the asymptotic asymmetric-top Oa molecule at several temperatures are calculated by directly calculating the partition functions and regarding the rotationless transition dipole moment squared as a constant. The calculated values of the total internM partition sums （TIPS） are consistent with the data of HITRAN database with -0.61% at 296 K. The calculated line intensity data at 500 K and 3000 K are also in excellent agreement with the data in HITRAN database with less than 0.659% and 5.458% at 500 K and 3000 K, which provide a strong support for the calculations of partition function and fine intensity at high temperature. Then we extend the calculation to higher temperatures. The line intensities and simulated spectra of v3 band of the asymptotic asymmetric-top O3 molecule at 4000 and 5000 K are reported. The results are of significance for the studying of the molecular high-temperature spectrum including experimental measurements and theoretical calculations.

Optical Emission Spectroscopic Studies of ICP Ar Plasma

The ion line of 434.8 nm and atom line of 419.8 nm of Ar plasma produced by an inductively coupled plasma （ICP） were measured by optical emission spectroscopy and the influences from the working gas pressure, radio-frequency （RF） power and different positions in the discharge chamber on the line intensities were investigated in this study. It was found that the intensity of Ar atom line increased firstly and then saturated with the increase of the pressure. The line intensity of Ar^＋, on the other hand, reached a maximum value and then decreased along with the pressure. The intensity of the line in an RF discharge also demonstrated a jumping mode and a hysteresis phenomenon with the RF power. When the RF power increased to 400 W, the discharge jumped from the E-mode to the H-mode where the line intensity of Ar atom demonstrated a sudden increase, while the intensity of Ar^＋ ion only changed slightly. If the RF power decreased from a high value, e.g., 1000 W, the discharge would jump from the H-mode back to the E-mode at a power of 300 W. At this time the intensities of Ar and Ar^＋ lines would also decrease sharply. It was also noticed in this paper that the intensity of the ion line depended on the detective location in the chamber, namely at the bottom of the chamber the line was more intense than that in the middle of the chamber, but less intense than at the top, which is considered to be related to the capacitance coupling ability of the ICP plasma in different discharge areas.