O+↔O− БЕтА-пЕРЕхОДы

In the paper, the reasons of similarity between first forbidden beta-transitions and the allowed ones, are investigated. The shape of beta-spectra, the degree of longitudinal polarization and 1g ft — values are considered in the particular (O⁺O^–) case. The results of analyses are used for comparison of the consequences of the Conservent Vector Current with experimental data. It is shown, that CVC is not in contradiction with them.     

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。     

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.     

17O12C17O and 18O12C17O spectroscopy in the 1.6 μm region

Near infrared spectra of a carbon dioxide sample enriched with oxygen-17 have been recorded using a high-resolution continuous scan Fourier transform interferometer fitted with a femto OPO/Idler laser source. Cavity enhanced absorption has been achieved in a static gas cell allowing an optimal rms noise equivalent absorption of 1.2?×?10^?10?cm^?1?Hz^?1/2 per spectral element to be reached, corresponding to α_min?=?10^?8?cm^?1. Spectra were calibrated against acetylene reference line positions. Three bands in the 3ν₁?+?ν₃ tetrad in both ¹²C¹⁷O₂ and ¹²C¹⁷O¹⁸O have been identified and rotationally analyzed, as well as some related hot bands, eight of which are newly reported and three with their analysis updated compared with a preliminary report (X. de Ghellinck d’Elseghem Vaernewijck et al., Chem. Phys. Lett. 514, 29 (2011)).     

К ВОПРОСУ O КРИТИЧЕСКО Й ЧАСТОТЕ ПРИ ПРЕРЫВИСТОМ ОСВЕ ЩЕНИИ

c , c n , n AgBr. .     

O3与O3分子间相互作用的理论研究

采用从头算方法,在B3LYP水平下对O3分子单体及其二聚体进行了几何结构优化,得到四种O3分子二聚体的稳定构型,并经MP2法、均衡法(Massage)分别校正了电子相关和基组叠加误差(BSSE),通过对分子中原子间的最短距离,分子间质心距离与各构型相互作用能的关系进行了分析、比较,得到了最稳定的构型,其对应的O3分子二聚体相互作用能为:-8.788 kJ/mol.     

Die Elektronenpolarisation beim O−→O+-Beta-Zerfall des Ho166

The polarizationP of the beta-rays from Ho¹⁶⁶ and P³² has been investigated using the method of combined multiple- and Mott-scattering. The result for\(P/\frac{v}{c}\) averaged over the energy range accepted by our apparatus\(\left( {\frac{v}{c} \approx 0.8} \right)\) is

$$\left\langle {\left( { - P/\frac{v}{c}} \right)_{Ho^{1^{66} } } } \right\rangle _{Av} = (0.99 \pm 0.02)\left\langle {\left( { - P/\frac{v}{c}} \right)_{P^{3_2 } } } \right\rangle _{Av} .$$     

Electrical conductivity of the Li2OB2O3 system with V2O5

New Li ion vitreous conductors have been synthesized using simultaneously B₂O₃ and V₂O₅ as glass forming network. The ionic conductivity of the Li₂OB₂O₃V₂O₅ system for N=[B+V]/[M] and Y=[B]/[b+V, where 1⩽N⩽1.5 and Y⩽1.0 is experimentally determined. The results show a “mixed former effect” for the ratio Y=0.9. The Li₂OB₂O₃V₂O₅ system for the ratio Y=0.9 shows an enhancement in conductivity by an order of magnitude compared to the binary system Li₂OB₂O₃.     

Pr2O3,Sm2O3,Eu2O3及Dy2O3掺杂SrTiO3的发光光谱

SrTiO_3粉末分别用Pr_2O3、Sm_2O_3、Eu_2O_3以及Dy_2O_3掺杂处理后,以SrTiO_3能吸收的光波(≤387nm)激发后发出的荧光具有稀土离子的发光特征。     

Na2O＊B2O3＊V2O5玻璃的^51V核磁共振研究

本文应用~(51)V核磁共振研究了Na_2O·B_2O_3·V_2O_5玻璃的结构,结果表明: 1)R<0.5+K时,随着R的增加,依次形成NaV_3O_8、NaVO_3和NaVO_3-B结构。 2)R=0.5+K时,全部的V_2O_5转化为NaVO_3和NaVO_3-B结构。 3)R>0.5+K时,由于硼酸盐中非桥氧数的增加,NaVO_3-B结构逐步消失,并推测NaVO_3-B结构中的B原子为四配位结构。     

Al2O3-P2O5-H2O反应体系产物以及高温产物的光谱特征

以磷酸和氢氧化铝为原料,选取不同工艺合成了系列磷酸铝。用FTIR,XRD,Raman和SEM研究了相关产物阴离子基团的红外图谱变化和三聚磷酸二氢铝的热变化过程的光谱性质以及颗粒形貌的变化。当改变P2O5/Al2O3摩尔比或者缩合温度时,可以看到磷酸根形式H2PO4-,PO34-,H2P3O130-和PO3-的红外光谱特征的变化,P—O键的振动峰随着聚合程度的增加向短波长方向移动,而且峰宽增加。当三聚磷酸二氢铝经高温处理后,拉曼和红外光谱显示了聚合磷酸根中微结构间的相互作用引起P—O键伸缩振动频率增大以及结晶水的变化趋势,随着组成变化的同时,其颗粒的层状结构层厚度增加,层边界趋于模糊,直至呈现熔体状态。     

Quasi-classical rate constants for the inelastic process O2(υi≫ 1) + O2 → O2(υf) + O2

Rate constants have been calculated using quasi-classical trajectories (QCT) for the vibrational relaxation of highly excited O₂:O₂(X³Σ?,v_i) + O₂(X³Σ?,0) → O₂(X³Σ?,v_f) + O₂(X³Σ?) with 22 ≤v_i≤28. The present full-dimensional QCT results agree very well with recent quantum reduced dimensionality calculations, giving further support to the hypothesis that the observed experimental jump in depletion rates would be due partially to enhanced vibrational relaxation.     

FC(O)O自由基与NO反应机理的理论研究

用密度泛函理论(DFT)的B3LYP方法,在6-311G(d,p)基组水平上研究了FC(O)O自由基与NO反应的微观机理,全参数优化了反应过程中各反应物、中间体、过渡态和产物的几何构型,在CCSD(T)水平上计算了它们的能量,振动分析结果证实了中间体和过渡态的真实性,从对FC(O)O与NO的反应机理的研究结果看,FC(O)O与NO反应为4条反应通道多步反应过程,其反应的主要通道是FC(O)O+NO→M3→TS6→M5→FNO+CO₂,其主要产物是自由基FNO和CO_{2关键词： 密度泛函理论 反应机理 反应通道}     

СПЕКТРАЛЬНОЕ РАСПРЕ ДЕЛЕНИЕ КВАНТОВОГО В ЫХОДА ИНФРАКРАСНОЙ ЛЮМИНЕ СЦЕНЦИИ Cu2O ПРИ НИЗКИХ ТЕМПЕРАТУРАХ

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Spectral distribution of quantum yield of infra-red luminescence of Cu₂O at low temperatures

     

水分子不是H2O

水分子的化学式其实不是H2 O .根据最新的实验 ,中子和电子与水碰撞的时间为几阿秒 (1 0 - 18s)时探测到的氢和氧的比例约为 1 .5— 1 .所以 ,水的更精确的分子式在这些情况下应该是H1.5O而不是H2 O .按照实验者 (德国柏林技术大学的Chatzidimitriou DreismannA)的说法 ,这个实验“打开了阿秒的时间窗口” ,可能揭示出奇迹般的量子效应 ,以前 ,这种量子效应由于持续的时间太短而没有捕捉到 .这类效应将修正传统的教科书中关于水和其他日常生活中接触到的分子的概念 .此外 ,这些实验能够提供 1 0 0— 5 0 0as时间尺度上的化学反应的新信…     

水分子(H_2O)中O—H键的稳定性

以水分子(H_2O)双振子二次量子化哈密顿量作为理论模型,通过加横向扰动研究H_2O中氢氧(O—H)耦合量子态的稳定性。结果表明:当水分子中的两个振子能量集中于其中之一时,不易受横向扰动的影响,稳定性好;当振子能量不对称时,极易受横向扰动的影响,稳定性迅速衰减、变差;当两振子振动强度一致时,不易受弱横向扰动的影响,对于比较强的横向扰动稳定性演化曲线呈现近周期性变化,说明该状态在强扰动下极易发生可逆性的跃迁。     

Activation energy and conductivity of glasses in the P2O5–V2O5–Li2O system

The conductivity of glasses in the 50\textP_\text2 \textO_\text5 - x\textV_\text2 \textO_\text5 - ( 50 - x )\textLi_\text2 \textO50{\text{P}}_{\text{2}} {\text{O}}_{\text{5}} - x{\text{V}}_{\text{2}} {\text{O}}_{\text{5}} - \left( {50 - x} \right){\text{Li}}_{\text{2}} {\text{O}} system was studied as a function of temperature and composition. For all compositions, the conductivity variation as a function of temperature followed an Arrhenius type relationship. Isothermal variation of conductivity as a function of composition showed a minimum for a molar ratio x near 20. Probable mechanisms for decrease of conductivity with decrease of vanadium oxide concentration were explained. The minimum in room temperature was attributed to increase of V⁴⁺/V⁵⁺ with decrease of vanadium oxide in specific concentrations of vanadium oxide. Activation energy increased with decrease of V₂O₅ content. This behavior was attributed to increase of average spacing between vanadium ions.