Solid state NMR characterisation of crystalline Na2OZrO2SiO2 phases

The NMR interactions of crystalline phases in the system Na₂O-ZrO₂-SiO₂ have been studied by a combination of static and magic angle spinning NMR methods for the first time. A full multinuclear (¹⁷O, ²³Na, ²⁹Si and ⁹¹Zr) approach has been employed that allows the phases to be clearly identified. NMR interactions such as ²⁹Si isotropic chemical shift correlate with the known structural units present. For ²³Na the different sites can often be distinguished on the basis of differing quadrupolar interactions.     

原子模型理论的参数确定与检验方法

根据多电子原子价电子径向波函数的节点特性，结合光谱实验数据，提出了一种确定与检验原子模型势理论中势参数的方法，使所得的波函数避免了因内层电子波函数的混入而造成的坍陷。     

碰撞诱导钠分子A1Σ+u→X1Σ+g的荧光光谱

用532.0 nm激光激发Na2分子到B1Πu电子态,记录了Na(3P)原子的跃迁和Na2分子的A1Σ+u-Χ1Σ+g的谱带.由Na与Na2激发态发射的光谱及其强度可以认定在Na-Na2系统中的碰撞过程,Na(3P)原子线是Na2(B1Πu)到Na(3P)的碰撞能量转移产生的,预解离过程也可产生原子线.而A1Σ+u-Χ1Σ+g谱带是由B1Πu到21Σ+g的碰撞转移后再由21Σ+g到A1Σ+u的辐射而引起的.在360℃,根据辐射衰变率和荧光强度,得到Na2(B1Πu)到Na2(21Σ+g)碰撞转移率系数为7.1×10-10 cm3s-1,而B1Πu的预解离率为2.3×106 s-1.     

Two-dimensional triple-quantum Na MAS NMR spectroscopy of sodium cations in dehydrated zeolites

Two-dimensional triple-quantum (2D-3Q) ²³Na MAS NMR spectroscopy has been applied for the investigation of sodium cations in dehydrated zeolites NaY, NaEMT, NaZSM-5 and NaMOR. The experiments have shown that the new 2D-3Q technique allows the determination of the isotropic chemical shifts and quadrupolar couplings of sodium cations with SOQE (second-order quadrupolar effect) parameters of up to ca. 4 MHz. In the present work, SOQE parameters of 1.0–1.2 MHz were found for sodium cations located at positions SI in the hexagonal prisms of dehydrated zeolites NaY and NaEMT. The sodium cations located in the 10-ring and 12-ring channels of dehydrated zeolites NaZSM-5 and NaMOR, respectively, are characterized by a SOQE parameter of 2.0 MHz while a value of 3.1 MHz was determined for sodium cations in the sidepockets of the channels in dehydrated NaMOR.     

改性Y沸石上苯与二异丙苯烷基转移反应活性及结炭失活的研究Ⅰ.沸石的钠含量和硅铝比对表面酸性的影响

用调节交换液ｐＨ值、高温水蒸气处理和不同浓度磷酸溶液等三种不同的改性方法对国产Ｙ型沸石进行了改性处理，运用ＴＰＤ、红外光谱、ＸＲＤ、原子吸收光谱测试了催化剂的物理性质，考察了不同改性方法对催化剂中的钠含量及骨架硅铝比的影响，以及由此造成对催化剂表面酸性质的影响。实验结果表明，这三种改性方法均能将沸石中深层次的钠交换下来。钠的减少主要产生的是Ｂｒｏｎｓｔｅｄ酸中心，而当Ｎａ２Ｏ含量低于０．２‰时，产生的又主要是强Ｂｒｏｎｓｔｅｄ酸中心。其中，高温水蒸气处理不仅影响钠的含量，而且影响硅铝比。催化剂酸性质是钠含量和硅铝比两个相反因素结合作用的结果。此外，实验结果还发现高温水蒸气处理一方面影响Ｂｒｏｎｓｔｅｄ酸量，一方面又能降低Ｂｒｏｎｓｔｅｄ酸强度。而磷酸改性只能同时改变各种强度的Ｂｒｏｎｓｔｅｄ酸量，对酸强度则没有影响。     

火焰原子吸收法测定霞石中的氧化钾和氧化钠

本方法用于测定霞石中的钾、钠，主要通过在溶样时加入氢氟酸除去二氧化硅，调整溶液中钾、钠的含量，消除互相之间的干扰，加入氯化铯消除电离因素的干扰，提高了分析结果的准确性和重现性，使测定结果更接近化学分析值。回收率为99．2％-101．6％，总体标准偏差为0．04％。     

钠5S态与基态钾原子的碰撞能量转移

在Ｎａ－Ｋ混合蒸汽中，利用染料激光器，将基态Ｎａ原子双光子激发到５Ｓ态。用荧光法测量了过程Ｎａ（５Ｓ）＋Ｋ（４Ｓ）→Ｎａ（３Ｓ）＋Ｋ（８Ｄ，１０Ｓ）的碰撞转移截面，Ｋ８Ｄ，１０Ｓ对Ｎａ５Ｓ的荧光比中，含有Ｋ８Ｄ１０Ｓ碰撞转移的影响。第２个实验可以消除这个影响，双光子激发Ｋ原子到８Ｄ（或１０Ｓ）探测８Ｄ（１０Ｓ）对１０Ｓ（８Ｄ）的荧光比，Ｎａ（５Ｓ）→Ｋ（８Ｄ，１０Ｓ）碰撞转移截面（１０－１５ｃｍ２）分别是１０．５±４．２和９．５±３．８     

ICP—AES法测定铁矿中铝,钙,镁,锰,钴,铜,钠和钾

本文研究了ICP-AES法测定铁矿中铝,钙、镁、锰、钴、铜、钠和钾的方法。对仪器工作参数,共存元素的光谱干扰和基体效应干扰进行了探讨。采用向标准系列中加入铁基空白溶液建立工作曲线,试样经酸处理后即可直接测定。本方法获得了良好的回收率(95～103%)和变异系数(0.5～1.3%,n=11),同原子吸收法进行比对试验,结果一致。     

Unerwartete Strukturverwandtschaft: Das neue Orthotitanat Rb3Na[TiO4]

On Unexpected Structural Relations: The New Orthotitanate Rb₃Na[TiO₄] [1] The new oxide Rb₃Na[TiO₄], platelike colourless crystals, was obtained by heating a well grounded mixture of the binary oxides in Ni-tubes. Therewith the oxides RbO_0.52, NaO_1.03, Ti₂O₃ (Rb:Na:Ti = 2.8:2.5:1.0) were heated for 26 d at 1000°C. Rb₃Na[TiO₄] (monoclinic, P2₁/c) is “isostructural” with Rb₃Na[PbO₄] [2] (lattice constants: a = 1076.3(3) pm, b = 638.8(4) pm, c = 1088.9(7) pm, β = 112.83(12)°; four-circle diffractometer data, Z = 4). The structure was determinated by using four-circle diffractometer data (Siemens AED2, 6683 I₀(hkl), MoKα , R = 6.2%, R_w = 3.8%, additional data see text). The Madelung Part of Lattice Energy (MAPLE), Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR) and the Charge Distribution in Solids are calculated and discussed.     

ChemInform Abstract: An ab initio Study of Possible Pathways in the Thermal Decomposition of NaAlH4

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