Profiles of (υ′;υ″ = 0) bands recorded in excitation spectra using b30+u ← X10g+ transitions in Cd2 and B31 ← X10+ transitions in CdAr

Profiles of the (υ′;υ ^″ = 0) vibrational bands recorded using the b³0⁺ _u ← X¹0_g ⁺ and B³1?←?X¹0⁺ transitions in Cd₂ and CdAr complexes, respectively, are presented and analysed. Specifically, CdAr and Cd₂ complexes are simultaneously propagating in a supersonic beam. Transitions in these complexes can be used to provide the conditions for selective detection of one of the complexes in the expansion. Extended analysis of the B³1- and b³0⁺ _u -state vibrational progressions provided improved values for ω′ _e x′ _e and ω′ _e vibrational characteristics, as well as D′ _e well depths and R _e ′ bond lengths of the B³1- and b³0⁺ _u-state potentials. Several of the CdAr bands were recorded with partly resolved rotational structure. The new characterisation of the B³1 state, along with results of the rotational and isotopic analyses of the band profiles, agrees with the most recent results of ab initio calculations, while results obtained for the b³0⁺ _u state call for improvement in the ab initio calculations for Cd₂.     

He-broadening and shifting coefficients of HCl lines in the (1←0) and (2←0) infrared transitions

ABSTRACT

We report experimental results on the broadening and shifting coefficients in a large interval of J quantum numbers in the fundamental and first overtone vibration–rotation bands of the HCl molecule in mixtures with helium. Many of the values, especially for the overtone transition, are novel. The uncertainties for the isotope-averaged broadening coefficients amount to 2% on average for the fundamental and 1.5% for the overtone bands. Shifts have a typical uncertainty of 3%.     

NO(X2Π1/2,3/2)υ=1←0塞曼跃迁谱及其特性研究

根据塞曼效应理论和激光磁共振光谱技术(LMR)的基本原理,讨论了双原子分子2П态的塞曼效应特性并导出了解释分子塞曼跃迁的简明代数拟合方程,用这些方程对14N16O(X2Π1/2,3/2)及15N16O(X2Π3/2) (υ=1←0)的LMR谱线进行数据拟合,得到塞曼跃迁上、下子能级的gJ因子值和二级塞曼效应因子k2.将按Hund耦合情形(a)及过渡情形(ab)的理论和拟合方程计算出的磁场位置分别与实验结果相比较,结果表明对NO分子而言,过渡情形(ab)能较真实反映它的耦合情况,且在较高强度磁场下,必须计及二级塞曼修正.验证了采用上述代数拟合方程实现新分子LMR谱线标识和指认的可靠性,并提供了系统的处理方法.     

The S21 lines of the A2Σ+ (v′ = 1)←X2Π (v″ = 0) transitions of OH and OD

The S₂₁ lines of the OH radical for the A²Σ⁺ (v′ = 1)←X²Π (v″ = 0) transition have been observed in the 278–280 nm region from the laser-excitation spectrum. The OH radical was generated from either the H + NO₂ or the H + O₃ reaction in a flow system and the fluorescence passing through a 309.6 nm interference filter was detected with a photomultiplier-boxcar integrator arrangement. The weak S₂₁ lines were observed at laser energies above 0.2 mJ. The observed peak wavenumbers are in excellent agreement with those predicted for the S₂₁ bands of the A (v>′ = 1)←X (v″ = 0) transition from the known spectroscopic parameters. Observation of the corresponding S₂₁ system for OD in the 286.0–286.9 nm region further confirms this assignment. The relative absorption cross-sections of about one-tenth those of the P₁ lines are in good agreement with theoretical considerations.     

A new global potential energy surface of the ground state of SiH2+ (X2A1) system and dynamics calculations of the Si+ + H2 (v0 = 2, j0 = 0) → SiH+ + H reaction

A global potential energy surface (PES) of the ground state of SiH$_{2}^{+}$ system is built by using neural network method based on 18223 ab initio points. The topographic properties of PES are presented and compared with previous theoretical and experimental studies. The results indicate that the spectroscopic parameters obtained from the new PES are in good agreement with the experimental data. In order to further verify the validity of the new PES, a test dynamics calculation of the Si$^{+} +$ H$_{2}$ ($v_0 = 2, j_{0} = 0$) $\to $ H $+$ SiH$^{+}$ reaction has been carried out by using the time-dependent wave packet method. The integral cross sections and rate constants are computed for the title reaction. The reasonable dynamical behavior indicates that the newly constructed PES is suitable for relevant dynamics investigations.     

Two-dimensional quenching lifetime measurement of OH:A 2 Σ +(υ′ = 1) and NO:A 2 Σ(υ′ = 0) in atmospheric-pressure flames

Planar laser-induced fluorescence is currently widely applied to research on combustion. However, conventional approaches for semi-quantitative measurement could not provide the satisfactory solution and the problem due to collisional quenching remains to be solved. This paper describes the two-dimensional (2D) quenching-time-constant measurement of OH:A ^{2 +}( = 1) and NO:A ² ( = 0) in flame cross sections at atmospheric pressure. These measurements involve 1–2 ns decay time of the excited state using a high-speed image intensifier and a tunable laser with a pulse duration of 3 ns at FWHM. The correlation factors of the exponential fits for the fluorescence decays after the laser pulse were larger than 0.999 in all experiments presented in this study. Furthermore, the measured Stern-Volmer plots of the quenching rate at 1.0, 1/2, 1/3, and 1/4 atm pressure using the same experimental apparatus was confirmed to have a linear relationship for both OH and NO, showing that the 2D decay-time measurements of 1–2 ns have been successful. For NO:A ² ( = 0), the obtained quenching rates inside the inner cone and in the outer flame in the NO-seeded methane-air Bunsen flame were 8.7 × 10⁸ and 7.8 × 10⁸ s^–1, respectively, and for OH:A ² ( = 1), the obtained quenching rate mapping in the outer flame was around 5.6 × 10⁸ s^–1 in the methane-air flame.     

Interference Angle on Quantum Rotational Energy Transfer in Na+Na2 (A1 Σ+u,v=8∽ b3 Π0u,v=14) Molecular Collision System

In order to study the collisional quantum interference (CQI) on rotational energy transfer in atom-diatom system, we have studied the relation of the integral interference angle and differential interference angle in Na+Na₂ (A¹Σ^+_u, v=8∽b³Π_0u, v=14) collision system. In this paper, based on the first-Born approximation of time-dependent perturbation theory and takinginto accounts the anisotropic effect of Lennard-Jones interaction potentials,we present a theoretical model of collisional quantum interference inintramolecular rotational energy transfer, and a relationship betweendifferential and integral interference angles.     

A photoelectron spectroscopic study of the second ionisation of the CF(X2Π) radical

The CF(X²Π) radical has been re-investigated with vacuum ultraviolet photoelectron spectroscopy. Two bands were observed and assigned to the ionisations CF⁺(X¹Σ⁺)←CF(X²Π) and CF⁺(a³Π)← CF(X²Π). The first band, which has been observed previously, has an adiabatic ionisation energy of (9.11±0.02) eV and a vertical ionisation energy of (9.55±0.02) eV. For the second band, three vibrational components were observed with the first, the most intense, at an ionisation energy of (13.94±0.02) eV. Analysis of the vibrational structure in the two observed bands allowed ω_e and r_e to be determined as 1810±30 cm⁻¹ and 1.154±0.005 Å, respectively for the first ionic state, CF⁺(X¹Σ⁺), and 1614±30 cm⁻¹ and 1.213±0.005 Å, respectively for the second ionic state, CF⁺(a³Π). Comparison of the ionisation energies and spectroscopic constants obtained has been made with values obtained from recent multi-reference configuration interaction calculations.     

Radiative lifetimes for the A2Σ+ (v′ = 0–7) and D2Σ+ (v′ = 0–5) Rydberg states of NO

Intensities for the γ(A²Σ⁺?→?X²Π), ε(D²Σ⁺?→?X²Π) and (D²Σ⁺?→?A²Σ⁺) bands for NO have been calculated using the Molecular Quantum Defect Orbital (MQDO) methodology. Radiative lifetimes for the A²Σ⁺ and D²Σ⁺ vibrational Rydberg states have also been determined. The present results are in excellent accord with measurements available in the literature. Additionally, predictions for a number of unknown intensities and radiative lifetimes are made, given their potential usefulness.     

Distribution of doped Mn at the Σ3 (1 1 2) grain boundary in Ge

Using first-principles density functional theory method, we have investigated the distribution and magnetism of doped Mn atoms in the vicinity of the Σ3 (1 1 2) grain boundary in Ge. We find that at low concentration, the substitutional sites are energetically favorable over the interstitial ones for Mn. The binding energy of Mn varies with lattice sites in the boundary region, and hence a non-uniform distribution of Mn nears the boundary. However, the average of their segregation energy is quite small, thus no remarkable grain boundary segregation of Mn is predicted. Due to volume expansion at the grain boundary, the spin polarization of Mn is slightly enhanced. Overall, we find that the magnetism of Mn-doped Ge is not sensitively dependent on the grain structure.     

NO(X2∏1/2,3/2)v=1←0塞曼跃迁谱及其特性研究

根据塞曼效应理论和激光磁共振光谱技术(LMR)的基本原理,讨论了双原子分子²∏态的塞曼效应特性并导出了解释分子塞曼跃迁的简明代数拟合方程,用这些方程对¹⁴N¹⁶O(X²∏_1/2.3/2)及¹⁵N¹⁶O(X²∏_3/2)(v=1←0)的LMR谱线进行数据拟合,得到塞曼跃迁上、下子能级的g_J因子值和二级塞曼效应因子k₂.将按Hund耦合情形(a)及过渡情形(ab)的理论和拟合方程计算出的磁场位置分别与实验结果相比较,结果表明对NO分子而言,过渡情形(ab)能较真实反映它的耦合情况,且在较高强度磁场下,必须计及二级塞曼修正验证了采用上述代数拟合方程实现新分子LMR谱线标识和指认的可靠性,并提供了系统的处理方法.     

Pressure broadening by argon in the hyperfine resolved P(10) and P(70) (17,1) transitions of I2 XΣ(0g)→BΠ(0u) using sub-Doppler laser saturation spectroscopy

The dependence of pressure broadening upon hyperfine component in the P(10) and P(70) lines of the (17,1) band of the I₂ X¹Σ(0_g⁺)→B³Π(0_u⁺) has been studied using laser saturation spectroscopy. By limiting absorption to the zero velocity group, Doppler broadening is removed, lineshapes with widths (FWHM) <9 MHz are detectable, and collision-induced broadening is measured at pressures of 0.2-1.2 Torr. The rates for broadening by argon are 8.3±0.3 and 10.7±0.4 MHz/Torr for the P(70) and P(10) lines, respectively. No significant variation in broadening rates is observed for the 15 hyperfine components of these even rotational lines. The effects of velocity cross-relaxation introduce a broad baseline into the spectra, which is strongly dependent on rotational state, pressure, and laser modulation frequency. The observed broadening rates correlate well with prior measurements and the polarizability of the collision partner.     

State selective predissociation spectroscopy of hydrogen chloride ions (HCl+) via the A2Σ+ ← X2Π3/2 transition

The photodissociation of hydrogen chloride ions (HCl⁺) has been investigated through the A²Σ⁺ (ν′ = 6, 7 and 8) ← X ²Π_3/2 (ν″ = 0) transition. The spectra reveal that state selective photodissociation with complete resolution of the spin, orbital, and rotational angular momentum is possible in the A ²Σ⁺ (ν′ = 6) state. The analysis of these spectra yields the rotational and the spin-rotation coupling constant of the A ²Σ⁺ (ν′ = 6) state. The lifetime of HCl⁺ decreases significantly with increasing vibrational excitation in the ²Σ⁺ state. Within the experimental error limits no J dependence of the lifetime is observerd. The state selective photodissociation of the HCl⁺ ions is also shown to be a very sensitive probe for unexpected parity transitions in the 2 + 1 REMPI formation of the HCl⁺ ions in the X 2Π_3/2 (ν″ = 0) state.     

(ΩΩ)0+ Dibaryon Productions in Central Au+Au Collisions at RHIC Energy (sNN)1/2 =130 GeV

Based on the measured transverse mass spectra of π^-, K^-, and p at the RHIC energy (s_NN)^1/2=130 GeV, di-omega productions from baryon-baryon reactions in hadronic matter are studied. Results about the >(ΩΩ)_0⁺ number show that the deeply bound state >(ΩΩ)_0⁺ can be observed at RHIC energies.