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首页> 外文期刊>The Journal of Chemical Physics >~(1)H nuclear magnetic resonance spin-lattice relaxation, ~(13)C magic-angle-spinning nuclear magnetic resonance spectroscopy, differential scanning calorimetry, and x-ray diffraction of two polymorphs of 2,6-di-tert-butylnaphthalene
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~(1)H nuclear magnetic resonance spin-lattice relaxation, ~(13)C magic-angle-spinning nuclear magnetic resonance spectroscopy, differential scanning calorimetry, and x-ray diffraction of two polymorphs of 2,6-di-tert-butylnaphthalene

机译:〜(1)H核磁共振自旋晶格弛豫,〜(13)C魔角旋转核磁共振波谱,差示扫描量热法和2,6-二叔丁基萘的两种多晶型物的X射线衍射

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摘要

Polymorphism, the presence of structurally distinct solid phases of the same chemical species, affords a unique opportunity to evaluate the structural consequences of intermolecular forces. The study of two polymorphs of 2,6-di-tert-butylnaphthalene by single-crystal x-ray diffraction. differential scanning calorimetry (DSC), 13C magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy, and ‘H NMR spin-lattice relaxation provides a’ picture of the’ differences in structure and dynamics in these materials. The subtle differences in structure, observed with x-ray diffraction and chemical shifts, strikingly affect the dynamics, as’ reflected in the relaxation measurements. We analyze the dynamics’ in terms of both discrete ,sums and continuous distributions of Poisson processes.
机译:多态性,即同一化学物种在结构上不同的固相的存在,为评估分子间力的结构后果提供了独特的机会。通过单晶X射线衍射研究2,6-二叔丁基萘的两种多晶型物。差示扫描量热法(DSC),13C魔角旋转(MAS)核磁共振(NMR)光谱和“ H NMR自旋晶格弛豫”提供了这些材料在结构和动力学上的差异的图片。 X射线衍射和化学位移观察到的细微结构差异显着影响动力学,如弛豫测量所反映的那样。我们根据泊松过程的离散,求和和连续分布来分析动力学。

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