The 2v 2, v 1 and v 3 bands of H2 16O

The 2v ₂, v ₁ and v ₃ bands of H₂ ¹⁶O occurring in the region 2930–4255 cm^-1 were studied from a spectrum recorded with a high resolution Fourier transform spectrometer (resolution: 0·005 cm^-1). The set of the observed transitions leads by a least squares method to the determination of very accurate values of the rotational levels belonging to the vibrational states (000), (020), (100), (001). From these levels, using Watson's Hamiltonian, we have obtained respectively 21 and 17 rotational constants for the states (000) and (020).     

Oscillator strengths for the Schumann-Runge bands of 16O18O

Oscillator strenghts were measured for the (2-0)–(15-0) Schumann-Runge bands of ¹⁶O¹⁸O. Individual rotational lines were studied at a resolution of ≈0.05Å. Band oscillator strenghts decrease with increasing rotation at a rate intermediate between those for ¹⁶O₂ and ¹⁸O₂. Our measurements are in good agreement with oscillator strenghts calculated using potential curves and dipole moments derived from ¹⁶O₂ measurements, and support conclusions that ¹⁶O¹⁸O plays only a minor role in the photodissociation of atmospheric O₂. Dipole moments deduced from our oscillator strenghts agree well with those obtained for ¹⁶O₂, ¹⁸O₂, as well as with recent ab initio and semi-empirical determinations.     

Predissociation linewidths for the Schumann-Runge bands of 16O18O

We have measured predissociation linewidths for rotational lines from the (2-0)–(15-0) Schumann-Runge bands of ¹⁶O¹⁸O. The behaviour of the vibrational widths is intermidiate between those observed previously for ¹⁶O₂ and ¹⁸O₂, with predissociation maxima at ν' = 4, 7, 10, (15). Our experimental linewidths are found to exhibit systematic variation with rotation for some of the bands studied. A model of the predissociation, including the interactions of the B³Σ^-_u state with repulsive ⁵Π_u, ³Π _u, ¹Π_u and ³Σ⁺_u states, and with molecular interaction parameters determined by a least-squares fit to previous ¹⁶O₂ linewidths, is found to predict accurately the observed vibrational and rotational dependences of linewidths for ¹⁶O¹⁸O.     

The v 1 and v 3 bands of ND3

High resolution (0.004cm^-1 instrumental bandwidth) interferometric Fourier transform infrared spectra of ¹⁴ND₃ were obtained on a BOMEM DA002 spectrometer under essentially Doppler limited conditions. An analysis is reported of the ND₃ stretching fundamentals with band centres at [EQUATION]₁ ⁰ (s ← a) = (2420.056 ± 0.001)cm^?1, [EQUATION]₁ ⁰(a ← s) = (2420.650 ± 0.001)cm^?1, [EQUATION]₃ ⁰(a ← a) = (2563.8840 ± 0:0005)cm^?1 and [EQUATION]₃ ⁰ (s ← s) = (2563.9161 ± 0.0005)cm^?1, with inversion tunnelling splittings Δ[EQUATION]₁ = 0.5412cm^?1 and Δ[EQUATION]₃ = 0.0209cm^?1 in the vibrationally excited levels. About 50 parameters of the effective Hamiltonian for this band system could be determined accurately. Assignments were established with certainty by means of ground state combination differences. The results are important for and are discussed in relation to the mode selective inhibition and promotion of inversion at the nitrogen atom by exciting ND stretching vibrations, and treatments of isotope e? ects on inversion of ammonia by means of effective Hamiltonians and true molecular Hamiltonians on high dimensional potential hypersurfaces.     

臭氧分子同位素16O18O16O的高温光谱研究

在直接计算分子配分函数的基础上,将无转动跃迁偶极矩平方近似为一常数,计算了非对称陀螺臭氧分子同位素16O18O16O 001-000跃迁在中等温度和高温下的线强度.计算结果在1000 K时与HITRAN数据库的结果吻合相当好.在温度高达3000 K时与HITRAN数据库的结果仍符合较好(最大百分误差为5.48%),表明分子配分函数和线强度的高温计算是可靠的.在此基础上,进一步计算了非对称陀螺分子16O18O16O 001-000跃迁带在极端高温4000和5000 K的线强度并报道其模拟光谱.计算结果对大气分子高温光谱的实验测量和理论研究均有一定的参考价值.     

The 18O(18O, 16O)20O reaction at 52 MeV

The structure of the ²⁰O nucleus was studied by the ¹⁸O(¹⁸O, ¹⁶O)²⁰O reaction at E_1ab = 52 MeV. Angular distributions for the transitions to the lowest four states in ²⁰O were obtained and analyzed with finite-range DWBA calculations. Optical potential sets were used which fit the experimental elastic scattering differential cross sections over almost the whole angular range. The two L = 0 transitions to the ground state and the 4.45 MeV state of ²⁰O populated by the ¹⁸O(¹⁸O, ¹⁶O) reaction were analyzed with exact finite-range DWBA calculations using microscopic form factors. These calculations underestimate the absolute cross sections by a factor of 11. The relative strength of the two L = 0 transitions is well reproduced in the ¹⁸O(¹⁸O, ¹⁶O) reaction. However, DWBA calculations for the ¹⁸O(t, p)²⁰O reaction overestimated the relative cross sections for the excited 0⁺ state by a factor of 6. Several model wave functions were tested for the ground-state transition. It was found that the absolute cross sections of the (¹⁸O, ¹⁶O) reaction are very sensitive to the mixing of shell-model configurations. The angular distribution shapes are also slightly dependent on the mixing.     

渐进非对称陀螺分子16O3及同位素16O18O16O的配分函数研究

采用乘积近似法计算了臭氧分子16O3及其同位素16O18O16O在20-6000 K温度范围内的总配分函数。其中转动配分函数用Watson的刚性转子模型,振动配分函数用谐振子模型．总的温度范围被划分为五个温度段。计算的配分函数在这五个温度段分别被拟合到一个温度T的五阶多项式,从而在每个温度段均得到六个拟合系数。由这些拟合系数就可以快速、准确的获得分子在所研究温度范围内任意温度的总配分函数。研究结果为目标特性识别、气动物理的高超声速技术等领域的研究提供了重要的参考信息。     

The v(1)+v(3) Bands of the (16)O(17)O(16)O and (16)O(16)O(17)O Isotopomers of Ozone

Using 0.002 cm(-1) resolution Fourier transform absorption spectra of an (17)O enriched ozone sample, an extensive analysis of the v(1)+v(3) bands of the (16)O(17)O(16)O and (16)O(16)O(17)O isotopomers of ozone has been performed for the first time. The experimental rotational levels of the (101) vibrational states were satisfactorily reproduced using a Hamiltonian matrix that takes into account the observed rovibrational resonances. More precisely, for (16)O(17)O(16)O, as for the other C(2v)-type ozone isotopomers, it was necessary to account for the Coriolis type resonances linking the (101) rotational levels with the levels of the (200) and (002) vibrational states and the Darling-Dennison interaction coupling the levels of (200) with those of (002). For the C(s)-type isotopomer, namely (16)O(16)O(17)O, as for (16)O(16)O(18)O and (16)O(18)O(18)O, it proved necessary to also account for an additional DeltaK(a)&equals+/-2 resonance involving the rotational levels from (101) and (002) (J.-M. Flaud and R. Bacis, Spectrochimica Acta Part A 54, 3-16 (1998)). Using a Hamiltonian matrix which takes these resonances explicitly into account, precise vibrational energies and rotational and coupling constants were deduced, leading to the following band centers: v(0)(v(1)+v(3))=2078.3496 cm(-1) for (16)O(17)O(16)O and v(0)(v(1)+v(3))=2098.8631 cm(-1) for (16)O(16)O(17)O. Copyright 2001 Academic Press.     

Infrared emission of 12C16O, 13C16O,and 12C18O

The combination of a new high-resolution grating spectrometer and a spontaneous emission source has made it possible to measure precisely the 1 → 0, 2 → 1, and 2 → 0 transitions of ¹²C¹⁶O relative to the accurately known ¹²C¹⁶O laser lines which have been referred to pure frequency standards by Eng et al. The 1 → 0 and 2 → 0 band centers agree to within 0.0002 cm^?1 with those measured relative to wavelength standards by Fourier transform spectroscopy (FTS). From a weighted simultaneous fit to the FTS-absorption, FTS-flame, our grating-emission, and microwave results, a set of calculated line positions was obtained for the 1 → 0, 2 → 1, and 2 → 0 transitions of ¹²C¹⁶O. The absolute accuracy of these line positions is believed to be ±0.0005 cm^?1 and we propose that the lines can be used as secondary wavenumber standards in the infrared.The spontaneous emission sequences v′ → (v′ ? 1) were measured for ¹²C¹⁶O up to v′ = 20, for ¹³C¹⁶O up to v′ = 11 (using a ¹³C-enriched sample), and for ¹²C¹⁸O up to v′ = 4 (in natural abundance). Internally consistent sets of Dunham coefficients were calculated from the best available data for the molecules of ¹²C¹⁶O, ¹³C¹⁶O, and ¹²C¹⁸O.     

Elastic and inelastic scattering of 18O by 16O and 18O

Angular distributions have been measured for the elastic and inelastic scattering of ¹⁸O by ¹⁶O and ¹⁸O at laboratory bombarding energies of 42 and 52 MeV. The inelastic scattering data are analyzed in terms of collective excitations using a coupled channel approach. Deformation parameters are obtained for the strongly excited states. The relationship between the strength of inelastic scattering and the amount of structure in the elastic scattering distributions is discussed.     

Nuclear radii of16O and18O

The muonic 2p-1s transitions in¹⁶O and¹⁸O have been measured with a Ge detector, with the 3d-2p transitions of Cl as reference line. Therms radii of¹⁸O and¹⁶O differ by 3.5±0.8 per cent as compared with 4.0 per cent according to the A^1/3 law.     

The absolute positions of calculated energy bands

The absolute positions of calculated crystalline energy bands depend upon the choice of charge cluster used to generate the total crystalline charge for the coulomb potential calculation. The coulomb potential (and hence the bands) will be shifted from the Ewald limit by 2π times the trace of the second moment tensor of the charge cluster divided by three times the volume of the unit cell. Energy bands obtained from different calculational models can thus all be corrected to the same Ewald limit. Energy bands can also be aligned more realistically with those in a finite crystal by calculating the shift in the bands from the Ewald limit due to a free atom or ion surface charge density.     

The (18O,16O) reaction on even tin isotopes

The two-neutron transfer reaction^ASn(¹⁸O,¹⁶O)^A+2Sn has been measured for the isotopes A=112, 116, 118, 120, 122 and 124 at bombarding energies of 57 and 60 MeV together with the elastic scattering. Angular distributions have been analysed for the transitions to the ground state and to the first excited 2⁺ state. The observed ground state transition is strongly enhanced. The theoretical DWBA analysis is performed with a finite range 2n-transfer form factor including recoil correction. The calculated cross section reproduces the observed systematic change over all isotopes. The absolute cross sections are normalized by a factor of 4.7 and 7.5, depending on the two different sets of 2n-wave functions used in the analysis. The results confirm the prediction of the pairing model that the transition strengths of a neutron pair between the ground states of even tin isotopes are the same.     

Third-order theory of the line intensities in the allowed and forbidden vibrational-rotational bands of C3v molecules

A third-order theory of the intensities of the allowed and “forbidden” (perturbation-allowed) transitions to the fundamental vibrational levels of C_3v semirigid molecules has been worked out by using the method of contact transformations applied to the electric dipole moment operator. Explicit expressions have been obtained for the linestrengths of the allowed (Δk = 0, ±1) as well as forbidden (Δk = ±2, ±3, ±4) transitions from the ground vibronic state to the fundamental vibrational levels of C_3v molecules. The treatment takes into account all the important Coriolis and anharmonic interactions in a C_3v molecule, including the effect of the “2, 2” and “2, −1” l-type interactions and the Δk = ±3 interactions on the intensities of the allowed and forbidden vibrational-rotational transitions. The expressions for the linestrengths of the allowed and forbidden transitions are given here in a form suitable to fit the experimental data on the intensities in the vibrational-rotational spectra of C_3v molecules.     

Tunable diode laser measurements of linestrengths and line positions in the HNO3 v3 band near 1335 cm-1

Absolute linestrengths and line positions for selected lines in the HNO₃ v₃ band near 1335 cm^-1 have been measured using a tunable diode laser spectrometer. An iterative deconvolution procedure was utilized to facilitate the location of line positions, which are reported with an experimental uncertainty of <0.001 cm^-1. The uncertainty in the absolute linestrengths is estimated to be 3%.     

Line positions,intensities, and Einstein A coefficients for 3-0 band of 12C16O: A spectroscopy learning method

Based on the model- and data-driven strategy, a spectroscopy learning method that can extract the novel and hidden information from the line list databases has been applied to the R branch emission spectra of 3-0 band of the ground electronic state of ¹²C¹⁶O. The labeled line lists such as line intensities and Einstein A coefficients quoted in HITRAN2020 are collected to enhance the dataset. The quantified spectroscopy-learned spectroscopic constants is beneficial for improving the extrapolative accuracy beyond the measurements. Explicit comparisons are made for line positions, line intensities, Einstein A coefficients, which demonstrate that the model- and data-driven spectroscopy learning approach is a promising and an easy-to-implement strategy.