Multiple Quantum ~(27)Al Magic-Angle-Spinning Nuclear Magnetic Resonance Spectroscopic Study of SrAl_(12)O_(19): Identification of a ~(27)Al Resonance from a well-defined AlO_5 Site

Stephan R. Jansen; Hubertus T. Hintzen; Ruud Metselaar; Jan W. de Haan; Leo J. M. van de Ven; Arno P. M. Kentgens; Gerda H. Nachtegaal

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Multiple Quantum ~(27)Al Magic-Angle-Spinning Nuclear Magnetic Resonance Spectroscopic Study of SrAl_(12)O_(19): Identification of a ~(27)Al Resonance from a well-defined AlO_5 Site

机译：SrAl_（12）O_（19）的多量子〜（27）Al魔角旋转核磁共振光谱研究：从明确定义的AlO_5位置识别〜（27）Al共振

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SrAl_(12)O_(19), a material with the magnetoplumbite-type structure, has been characterized by field-dependent ~(27)Al MAS and MQMAS solid-state NMR. In this material five different Al sites are present: one AlO_4, one AlO_5, and three AlO_6 sites, which all could be revealed by a quintuple quantum (5Q) MAS spectrum recorded at 7.05 T. A distribution is measured in the NMR parameters that is ascribed to statistical disorder of aluminum in the AlO_5 polyhedron. Quantitative simulations, using distributions in quadrupole coupling constant (C_q), of the conventional MAS spectra were successful in fitting the spectra. The ~(27)Al resonance of the AlO_5 polyhedron has a relatively high shielding (δ_(iso): 18 ppm) and a C_q of 2.1 MHz. The high shielding is explained by the distortion of the 5-fold-coordinated Al because a relation seems to exist between the isotropic chemical shift and the distortion of 5-fold-coordinated aluminum in various materials.

机译：SrAl_（12）O_（19）是具有磁铅石型结构的材料，其特征在于依赖于场的〜（27）Al MAS和MQMAS固态NMR。在这种材料中，存在五个不同的Al位点：一个AlO_4，一个AlO_5和三个AlO_6位点，这些位点都可以通过在7.05 T处记录的五重量子（5Q）MAS光谱来揭示。在NMR参数中测量的分布为归因于AlO_5多面体中铝的统计混乱。使用四极偶合常数（C_q）的分布对常规MAS光谱进行的定量模拟成功地拟合了光谱。 AlO_5多面体的〜（27）Al共振具有相对较高的屏蔽（δ_（iso）：18 ppm）和2.1 MHz的C_q。由于在各种材料中各向同性化学位移与5位配位的铝的变形之间似乎存在关系，因此高屏蔽性是由5位配位的Al的变形解释的。

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《The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical》 |1998年第30期|共8页
作者
Stephan R. Jansen; Hubertus T. Hintzen; Ruud Metselaar; Jan W. de Haan; Leo J. M. van de Ven; Arno P. M. Kentgens; Gerda H. Nachtegaal;
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中图分类物理化学（理论化学）、化学物理学;
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1. Multiple Quantum ~(27)Al Magic-Angle-Spinning Nuclear Magnetic Resonance Spectroscopic Study of SrAl_(12)O_(19): Identification of a ~(27)Al Resonance from a well-defined AlO_5 Site [J] . Stephan R. Jansen, Hubertus T. Hintzen, Ruud Metselaar, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 1998,第30期

机译：SrAl_（12）O_（19）的多量子〜（27）Al魔角旋转核磁共振光谱研究：从明确定义的AlO_5位置识别〜（27）Al共振
2. Identification of the Zn Substitution Sites in La-Zn Substituted SrAl_(12)O_(19) from ~(27)Al Solid-State NMR Studies [J] . Bindhu Baby, Krishna K. Dey, Thalasseril G. Ajithkumar, Journal of the American Ceramic Society . 2014,第9期

机译：从〜（27）Al固态NMR研究鉴定La-Zn取代的SrAl_（12）O_（19）中的Zn取代位点
3. Characterization of Mo-P-Alumina Sol-Gel Catalysts by Solid-State ~(31)P and ~(27)Al Magic-Angle Spinning Nuclear Magnetic Resonance and Two-Dimensional ~(27)Al Multiple-Quantum Magic-Angle Spinning Nuclear Magnetic Resonance [J] . R. Iwamoto, C. Fernandez, J. P. Amoureux, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 1998,第22期

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4. Optical Transition Probabilities for Pr~(3+)in SrAl_(12)O_(19)and their relationship to the Efficiency of Quantum-Splitting Process [C] . A.A.Setlur, H.A.Comanzo, A.M.Srivastava The Meeting of the Electrochemical Society . 2000

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Multiple Quantum ~(27)Al Magic-Angle-Spinning Nuclear Magnetic Resonance Spectroscopic Study of SrAl_(12)O_(19): Identification of a ~(27)Al Resonance from a well-defined AlO_5 Site

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