N2O同位素的紫外光解：同位素分馏和产物的转动量子态分布

采用时间依赖的量子波包法研究¹⁴N¹⁴N¹⁶O、¹⁴N¹⁵N¹⁶O、¹⁵N¹⁴N¹⁶O、¹⁵N¹⁵N¹⁶O、¹⁴N¹⁴N¹⁷O和¹⁴N^{14相似文献}   

Accurate theoretical spectroscopic investigations of the 20 Λ-S and 58 Ω states of O2+ cation including the spin–orbit coupling effect

The potential energy curves (PECs) are calculated for the 20 Λ-S states (X²Π_g, A²Π_u, B²Σ^?_g, a⁴Π_u, b⁴Σ^?_g, b′⁴Π_g, c⁴Σ^?_u, 1²Σ⁺_g, 1²Σ⁺_u, 1²Σ^?_u, 1⁴Σ⁺_g, 1⁴Σ⁺_u, 1⁴Δ_g, 1⁴Δ_u, 1⁶Σ⁺_g, 1⁶Σ⁺_u, 1⁶Π_g, 1⁶Π_u, 2⁴Π_g and 2⁴Π_u) of O₂⁺ cation and their corresponding 58 Ω states. Of these 20 Λ-S states, the 1⁶Π_u state is found to be repulsive. The 1²Σ⁺_g, 1⁴Σ⁺_u, c⁴Σ^?_u and 1⁴Δ_u states are found to possess the double well. The b⁴Σ^?_g, 1⁶Σ⁺_g, 1⁴Σ⁺_u, a⁴Π_u, A²Π_u, 1⁶Π_g and 2⁴Π_g states are found to be inverted with the spin–orbit coupling effect included. The b′⁴Π_g, 1⁶Π_g, 1⁶Σ⁺_g, 1⁴Σ⁺_u and 1⁴Δ_u states, and the second well of the 1²Σ⁺_g state are found to be the weakly bound states. The b′⁴Π_g state is found to possess one well with one barrier. The PECs are calculated by the complete active space self-consistent field method, which is followed by the internally contracted multireference configuration interaction approach with the Davidson correction in combination with the aug-cc-pV6Z basis set. The core–valence correlation and scalar relativistic corrections are included. The convergent behaviour of present calculations is discussed with respect to the basis set and theoretical level. The spin–orbit coupling effect is accounted for. The PECs are extrapolated to the complete basis set limit. The spectroscopic parameters are evaluated, and compared with available measurements. It demonstrates that the spectroscopic parameters reported here can be expected to be reliably predicted ones.     

Fourth-generation signatures in D0-;D̄0 mixing and rare D decays

We study the effects of a fourth generation on D⁰-D̄⁰ mixing and the rare decays D⁰→μ⁺μ⁻, D→ℓ⁺ℓ ⁻X (where X is nonstrange), D→πℓ⁺ℓ⁻ and D→ϱγ (orωγ). D⁰-D̄⁰ mixing can be as large as the experimental limit of 0.5%. The fourth generation can enhance the branching ratios for the rare decays by several orders of magnitude: it can be as large as 10⁻⁹ for the decays D⁰→μ⁺μ⁻, D→ℓ⁺ℓ⁻X and D→πℓ⁺ℓ⁻. The long-distance contribution to the radiative decays is estimated to be ∼ 10⁻⁸ and is shown to be dominant in the three-generation model. The fourth generation can bring this branching ratio up to ∼ 10⁻⁶.     

Statistical analysis of24Mg+24Mg elastic and inelastic scattering

The data on the excitation functions of²⁴Mg+²⁴Mg elastic and inelastic (²⁴Mg +²⁴Mg^*(2⁺),²⁴Mg^*(2⁺)+²⁴Mg^*(2⁺),²⁴Mg+²⁴Mg^*(4⁺),²⁴Mg^*(4⁺)+²⁴Mg^*(2⁺),²⁴Mg+²⁴Mg^*(6⁺)) scattering fromE _c.m=42 to 56 MeV have been subjected to a statistical analysis consisting of calculations of deviation function, cross-correlation function, cross-channel correlation coefficients, coherence widths, and the distribution of cross sections. On the basis of the analysis resonant structures atE _c.m=45.70, 46.65, 47.35 and 47.75 MeV have been confirmed. Two new resonant structures atE _c.m=44.55 and 50.50 MeV have been identified.     

The role of OH ions in the stabilization of F colour centres in LiF

Thermally Stimulated Depolarisation Current (TSDC) and optical methods are applied to a range of alkali-fluoride crystals in order to establish a model for the stable F ₂ ⁺ - like colour centres in LiF:OH^-. The experimental results for LiF:OH^- suggest that the OH^- defects are partially destroyed under ionising irradiation or during crystal growth. The low-temperature dielectric relaxation signals in LiF:OH^- and LiF:Mg²⁺,OH^- are attributed to highly interacting hydroxide ions and products of their destruction located in extended lattice defects. In LiF:OH^-, in contrast to other alkali halides, the results advocate for a defect-structure model, which considers a neutral defect (ND, probably O₂ or H₂) sited at the anion vacancy of the O^2--V _a ⁺ dipole and which possibly is the “nucleus” for the F ₂ ⁺ centre. The proposed F ₂ ⁺ (ND, O^-) model seems to better explain the dielectric results, compared to the older F ₂ ⁺ (O^2-) and F ₂ ⁺ (O^-) models. The estimate for the electric dipole moment derived from the experimental TSDC bands, gives a value for the F ₂ ⁺ - like centre in LiF:OH^- between those of the F ₂ ⁺ (O^-) and F ₂ ⁺ (O^2-) defects, in good agreement with the proposed F ₂ ⁺ (ND,O^-) model. The reduction of the activation energy barrier of the (re)orientation process of the Mg²⁺V _c ^- (OH^-) complexes in LiF:Mg²⁺,OH^-, and the low-temperature shift of their TSDC band, compared to the single Mg ₂ ⁺ V _c ^- peak in LiF:Mg²⁺, are tentatively ascribed to an increase in the crystal-lattice parameters owing to the presence of OH^- and/or products of its destruction. Received 31 August 2001 / Received in final form 30 March 2002 Published online 9 July 2002     

Spectroscopic database of CO2 line parameters: 4300-7000 cm

A new spectroscopic database for carbon dioxide in the near infrared is presented to support remote sensing of the terrestrial planets (Mars, Venus and the Earth). The compilation contains over 28,500 transitions of 210 bands from 4300 to 7000 cm⁻¹ and involves nine isotopologues: ¹⁶O¹²C¹⁶O (626), ¹⁶O¹³C¹⁶O (636), ¹⁶O¹²C¹⁸O (628), ¹⁶O¹²C¹⁷O (627), ¹⁶O¹³C¹⁸O (638), ¹⁶O¹³C¹⁷O (637), ¹⁸O¹²C¹⁸O (828), ¹⁷O¹²C¹⁸O (728) and ¹⁸O¹³C¹⁸O (838). Calculated line positions, line intensities, Lorentz half-width and pressure-induced shift coefficients for self- and air-broadening are taken from our recent measurements and are presented for the Voigt molecular line shape. The database includes line intensities for 108 bands measured using the McMath-Pierce Fourier transform spectrometer located on Kitt Peak, Arizona. The available broadening parameters (half-widths and pressure-induced shifts) of ¹⁶O¹²C¹⁶O are applied to all isotopologues. Broadening coefficients are computed using empirical expressions that have been fitted to the experimental data. There are limited data for the temperature dependence of widths and so no improvement has been made for those parameters. The line intensities included in the catalog vary from 4×10⁻³⁰ to 1.29×10⁻²¹ cm⁻¹/(molecule cm⁻²) at 296 K. The total integrated intensity for this spectral interval is 5.9559×10⁻²⁰ cm⁻¹/(molecule cm⁻²) at 296 K.     

The A 1Σ+ → X 1Σ+ bands of the isotopic lithium hydrides

In order to obtain a better understanding of the X¹Σ⁺ ground state and the A¹Σ⁺ state potential energy curves of lithium hydride and to examine in detail the concept of “mass-reduced quantum numbers” for both an ordinary (X¹Σ⁺) and an anomalous (A¹Σ⁺) electronic state, the emission spectra of the A¹Σ⁺ → X¹Σ⁺ bands of the isotopic lithium hydrides and deuterides were photographed in the 3000–5000-Å region with a 3.4-m Ebert Spectrograph. The bands found involved v″ = 0 to 7 to various v′ = 0 to 17 for ⁶LiH, and v″ = 0 to 7 to various v′ = 1 to 16 for ⁶LiD. Additional bands involving v″ = 4 and 5 were also found for ⁷LiH. The vibrational-rotational spectroscopic analysis of ⁷LiH, ⁶LiH, and ⁶LiD are reported here, as are the reanalyses of the ⁷LiH and ⁷LiD data reported by Crawford and Jorgensen. New Rydberg-Klein-Rees (RKR) A¹Σ⁺ and X¹Σ⁺ potential curves have been constructed for each individual molecule and are reported, but detailed isotopic comparisons will be reported in subsequent publications.     

Nonstatistical structures in the excitation functions of20Ne(16O,12C)24Mg and20Ne(16O,20Ne)16O reactions

The data on the excitation functions of²⁰Ne(¹⁶O,¹²C)²⁴Mg,²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(1.37, 2⁺),²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(4.12, 4⁺+4.24, 2⁺) +²⁰Ne(¹⁶O,¹²C^*(4.44, 2⁺))²⁴Mg,²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(6.01, 4⁺+6.43, 0⁺),²⁰Ne(¹⁶O,²⁰Ne)¹⁶O,²⁰Ne(¹⁶O,²⁰Ne^*(1.63, 2⁺))¹⁶O, and²⁰Ne(¹⁶O,²⁰Ne^*(4.25, 4⁺))¹⁶O reactions atθ _lab=13° fromE _c.m.=22.8 to 38.6 MeV have been subjected to a statistical analysis comprising of the calculations of the distribution of cross sections, deviation functions, cross-correlation functions, summed excitation functions, cross-channel correlation coefficients and coherence widths. The analysis confirms the existence of nonstatistical structures atE _c.m.=24.6, 27.8, 31.7 and 35.5 MeV, and identifies a new structure of the same nature atE _c.m. =25.6 MeV.     

High sensitivity CW-cavity ring down spectroscopy of CO2 near 1.35 μm (I): line positions

The absorption spectrum of carbon dioxide in natural isotopic abundance has been investigated by CW-cavity ring down spectroscopy with a new setup based on fibred distributed feedback (DFB) laser diodes. By using a series of 25 DFB lasers, the CO₂ spectrum was recorded in the 7123–7793 cm⁻¹ region with a typical sensitivity of 3×10⁻¹⁰ cm⁻¹. A 2125 transitions with intensities as low as 1×10⁻²⁹ cm/molecule were detected and assigned to the ¹²C¹⁶O₂, ¹⁶O¹²C¹⁷O and ¹⁶O¹²C¹⁸O isotopologues. For comparison, only 357 of them were previously reported from Venus spectra and 344 transitions were included in the 2004 version of the HITRAN database. The band by band analysis has led to the determination of the rovibrational parameters of 28, 2 and 6 bands for the ¹²C¹⁶O₂, ¹⁶O¹²C¹⁷O and ¹⁶O¹²C¹⁸O isotopologue, respectively. While the uncertainty on the experimental line positions is on the order of 5×10⁻⁴ cm⁻¹, the average deviation from the ¹²C¹⁶O₂ calculated values provided by the most recent version of the carbon dioxide spectroscopic databank (CDSD) is −2.8×10⁻³ cm⁻¹ with an root mean square (rms) deviation of 3.5×10⁻³ cm⁻¹. Maximum deviations in the order of 0.02 and 0.12 cm⁻¹ were evidenced for some bands of the ¹⁶O¹²C¹⁷O and ¹⁶O¹²C¹⁸O minor isotopologues. The obtained results improve significantly the previous measurements from Venus spectra and will be valuable to refine the sets of effective Hamiltonian parameters used to generate the CDSD database.     

Transfer reaction studies to states in 14N and 14C

States in ¹⁴N and ¹⁴C have been populated by the Li-induced reactions ¹⁰B(⁶Li, d), ¹¹B(⁶Li, t/³He), ¹¹B(⁷Li, α), ¹²C(⁶Li, α), and ¹³C(⁷Li, ⁶He/⁶Li) at E_Li = 32 and 34 MeV. Selective population of states is observed with these reactions. Angular distributions were measured for the ¹¹B(⁶Li t/³He) analog reactions. Experimental criteria are developed to allow the identification of analog states up to 18.40 and 16.45 MeV excitation in ¹⁴N and ¹⁴C, respectively.     

Ultraviolet and visible upconversion luminescence of Tm(0.1)Yb(5):FOV oxyfluoride nanophase vitroceramics

The ultraviolet upconversion luminescence of Tm³⁺ ions sensitized by Yb³⁺ ions in oxyfluoride nanophase vitroceramics when excited by a 975 nm diode laser was studied. An ultraviolet upconversion luminescence line positioned at 363.6 nm was found. It was attributed to the fluorescence transition of ¹D₂→³H₆ of Tm³⁺ ion. Several visible upconversion luminescence lines at 450.7 nm, (477.0 nm, 462.5 nm), 648.5 nm, (680.5 nm, 699.5 nm) and (777.2 nm, 800.7 nm) were also found, which result respectively from the fluorescence transitions of ¹D₂→³F₄, ¹G₄→³H₆, ¹G₄→³F₄, ³F₃→³H₆ and ³H₄→³H₆ of Tm³⁺ ion. The careful measurement and analysis of the variation of upconversion luminescence intensity F as a function of the 975 nm pumping laser power P prove that the upconversion luminescence of ¹D₂ state is partly a five-photon upconversion luminescence, and the upconversion luminescence of ¹G₄ state and ³H₄ state are respectively the three-photon and two-photon upconversion luminescence. The theoretical analysis suggested that the upconversion mechanism of the 363.6 nm ¹D₂→³H₆ upconversion luminescence is partly the cross energy transfer of {³H₄(Tm³⁺), ³F₄(Tm³⁺), ¹G₄(Tm³⁺)→¹D₂(Tm³⁺)} and {¹G₄(Tm³⁺)→³F₄(Tm³⁺), ³H₄(Tm³⁺)→¹D₂(Tm³⁺)} between Tm³⁺ ions. In addition, the upconversion luminescence of ¹G₄ and ³H₄ state results respectively from the sequential energy transfer {²F_5/2(Yb³⁺)→²F_7/2(Yb³⁺), ³H₄(Tm³⁺)→¹G₄(Tm³⁺)} and {²F_5/2(Yb³⁺) →²F_7/2(Yb³⁺), ³F₄(Tm³⁺)→³F₂(Tm³⁺)} from Yb³⁺ ions to Tm³⁺ ions. Supported by the National Natural Science Foundation of China (Grant No. 10674019)     

High-resolution infrared spectroscopy of NNO and NNO in the 1200–3500 cm region

We present a continuation of our investigation of the second most abundant isotopic species of nitrous oxide, ¹⁴N¹⁵N¹⁶O and ¹⁵N¹⁴N¹⁶O, in the infrared (IR). Our two previous contributions looked at the 3500–9000 cm⁻¹ region for ¹⁴N¹⁵N¹⁶O and ¹⁵N¹⁴N¹⁶O, respectively, in the 3500–9000 cm⁻¹ region. The use of highly enriched isotopologue samples in this study allowed us to go further into the IR, down to 1200 cm⁻¹. A total of 2 2742 transitions have been assigned based on the effective Hamiltonian model, with 108 of them being reported here for the first time. Rovibrational analyses of 98, 101, 8, 3, 6, 1 and 1 bands for the ¹⁴N¹⁵N¹⁶O, ¹⁵N¹⁴N¹⁶O, ¹⁵N¹⁵N¹⁶O, ¹⁴N¹⁵N¹⁸O, ¹⁵N¹⁴N¹⁸O, ¹⁴N¹⁵N¹⁷O and ¹⁵N¹⁴N¹⁷O isotopologues, respectively, were also performed.     

Experimental investigation of highly excited states of the 5,6He and 5,6Li nuclei in the (6Li, 7Be) and (6Li, 7Li) one-nucleon pickup reactions

The (⁶Li, ⁷Be) and (⁶Li, ⁷Li) reactions on ⁶Li and ⁷Li nuclei were investigated in the angular interval 0°–20° in the laboratory system at a ⁶Li energy of 93 MeV. In addition to low-lying states of the ^5,6He and ^5,6Li nuclei, broad structures were observed near the t(³He)+d and t(³He)+t thresholds at the excitation energies of 16.75 (3/2⁺) and ～20 MeV (for ⁵He), 16.66 (3/2⁺) and ～20 MeV (⁵Li), 14.0 and 25 MeV (⁶He), and ～20 MeV (⁶Li). The angular distributions measured in the ⁷Li(⁶Li, ⁷Be)⁶He reaction for transitions to the ground state (0⁺) and excited states at E _x=1.8 MeV (2⁺) and 14.0 MeV of the ⁶He nucleus were analyzed by the finite-range distorted-wave method assuming the 1p-and 1s-proton pickup mechanism. The (⁶Li, ⁷Be) and (⁶Li, ⁷Li) reactions were shown to proceed predominantly through the one-step pickup mechanism, and the broad structures observed at high excitation energies are considered as quasimolecular states of the t(³He)+d and t(³He)+t types.     

Infrared spectroscopy of 17O- and 18O-enriched carbon dioxide in the 1700–8300 cm−1 wavenumber region

The assignment of the high resolution Fourier transform spectra of carbon dioxide enriched in ¹⁷O and ¹⁸O which were recorded in LADIR (Paris, France) with the Bruker IFS 125-HR between 1800 and 9000 cm^?1 and in USTC (Hefei, China) with the Bruker IFS 120-HR between 1700 and 9000 cm^?1 was performed. In total 239 bands of 12 isotopologues: ¹⁶O¹²C¹⁶O, ¹⁶O¹²C¹⁸O, ¹⁶O¹³C¹⁶O, ¹⁶O¹³C¹⁸O, ¹⁸O¹²C¹⁸O, ¹⁸O¹³C¹⁸O, ¹⁶O¹²C¹⁷O, ¹⁷O¹²C¹⁷O, ¹⁷O¹²C¹⁸O, ¹⁶O¹³C¹⁷O, ¹⁷O¹³C¹⁷O and ¹⁷O¹³C¹⁸O were observed. Among them, 99 bands were observed for the first time. The majority of new observed bands belong to ¹⁷OCO isotopologues. The positions of 23,003 lines were determined with the experimental uncertainty on the level of 0.001 cm^?1. The spectroscopic constants were fitted to the observed line positions for all observed bands.     

Ce3+对Er3+/Yb3+共掺氟磷酸盐玻璃光谱性质的影响

研究了能量接受离子Ce³⁺对Er³⁺上转换发光强度以及Er³⁺在1.5μm附近波段发光性能参数的影响，并从能量匹配及能级结构角度出发对Er³⁺/Ce³⁺间的能量转移机制进行了分析.分析认为，⁴I_11/2能级的Er³⁺通过无辐射能量转移把能量传递给²F_5/2能级的Ce³⁺关键词： 氟磷酸盐玻璃 光谱性质 光纤放大器 3+和Ce³⁺')" href="#">Er³⁺和Ce³⁺     

Levels of 234U and 236U excited by the (d,d') reaction

The energy levels of ²³⁴U and ²³⁶U have been studied through the inelastic scattering of 16 MeV douterons. A magnetic spectrograph was used to momentum-analyse the scattered deuterons at θ = 90° and 125°. Excited in both ²³⁴U and ²³⁶U were the ground state bands up to and including the 8⁺ members, the K^π = 0⁺β-vibrations, the K^π = 2⁺γ-vibrations, and the K^π = 0^? octupole vibrational bands. In ²³⁴U, additional levels at 1023 and 1126 keV are ascribed to a K^π = 2^? band, levels at 1238, 1312, and 1446 keV are identified as members of either a K^π = 0^? or 1^? configuration, and other tentative assignments are made for members of K^π = 1^? and 3^? configurations. Relative reduced transition probabilities, B(E2), to the 2⁺ rotational and γ-vibrational states are generally found to be in good agreement with Coulomb excitation measurements. Relative B(E3) values for the 3^? states excited are slightly higher than the predictions of a microscopic theory of octupole vibrations.     

Cross sections of 43Sc, 44Sc, 46Sc isotopes formed in the 45Sc + 3He reaction

Reactions ⁴⁵Sc(³He, αn)⁴³Sc, ⁴⁵Sc(³He, α)⁴⁴Sc and ⁴⁵Sc(³He, 2p)⁴⁶Sc in the ³He energy range of 5 to 24 MeV are investigated in experiments performed with a ³He ion beam during the irradiation of U-120M cyclotron scandium targets. Activation is used to determine the yield of nascent Sc isotopes. The γ activity induced in targets is measured using a high-resolution HPGe detector. The character of the excitation function changes during the formation of these ions and differs from the excitation functions for deuterons, despite the low bond energy of ³He and the positive values of the Q reactions leading to the formation of ⁴⁴Sc and ⁴⁶Sc isotopes. The cross sections of ⁴⁴Sc formation reach their maximum value at the Coulomb barrier of the reaction, due to the stable ⁴He nucleus that accompanies the formation of ⁴⁴Sc. The contribution from different reaction mechanisms to the cross sections of ⁴³Sc, ⁴⁴Sc, and ⁴⁶Sc isotope formation are considered.     

Electronic structure and fluorescence spectrum of the HeO+ cation

Quantum-mechanical calculations of the potential curves of the HeO⁺ ion are preformed which correlate with four lower dissociation limits and indicate the excimer type of the ion. The transition dipole moments of the 2²Σ^?→1²Σ^? and 2⁴Σ^?→1⁴Σ ^? transitions are calculated. The energies and radiative lifetimes of vibrational levels are determined and structural and spectroscopic constants of the states 1²Σ^?, 2²Σ^?, 1⁴Σ^?, and 2⁴Σ^? are calculated. The fluorescence spectrum corresponding to the 2²Σ^?→1²Σ^? and 2⁴Σ^?→1⁴Σ ^? transitions is also calculated. The possibility of lasing at these transitions is discussed.     

Dihydroxylation of styrene by sodium chlorite with scandium triflate

Dihydroxylation of styrene by chlorite (ClO₂^?) with scandium triflate [Sc(OTf)₃] occurs efficiently to produce 1‐phenylethane‐1,2‐diol under the ambient conditions. Scandium triflate acting as a strong Lewis acid is found to accelerate the disproportionation of ClO₂^? to produce ClO^? and ClO₃^?. A scandium‐chlorine dioxide complex (Sc³⁺ClO₂^?) is generated by the reaction of ClO^? with ClO₂^? in the presence of Sc³⁺. The binding of Sc³⁺ to ClO₂^? was detected by the electron paramagnetic resonance measurements, enhancing the reactivity and selectivity of styrene hydroxylation.     

Radiative properties of α-ZnAl2S4:V spinel type single crystals

The absorption and luminescent properties of α-ZnAI₂S₄:V spinel type crystals in the temperature range 10-300 K are investigated. The spectra are assigned to the electronic transitions of trivalent vanadium ions located in octahedral sites. It is shown that at low temperatures the three main components of the revealed IR luminescence spectra are caused by the ¹A_1g(¹G)→¹E_g(¹D), ¹T_2g(¹D), ³T_2g(³F)→³T_1g(³F), and ¹E_g(¹D)→³T_1g(³F) transitions. The observed dependencies of the emission components intensities on temperature are explained assuming that there is a phonon assisted tunnelling between ³T_2g(³F) and ¹E_g(¹D) states. On temperature rise, the ³T_2g(³F)→³T_1g(³F) vibronic transitions suppress other emission channels, which leads to the enhancement of the integral luminescence intensity and to the broadening of the spectrum centred at λ=1.4 μm.