NMR波谱学中的高温近似的有效性及其相关问题(英文)

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高温近似 (HTA)是NMR波谱学和MRI技术中久经考虑且应用最广的一个近似 .最近几年有一大批引人注目的文章断言对高场下的浓溶液 ,如水的质子COSY谱 ,该近似会失效 .与声称的HTA失效同样令人惊讶的是其副产品之一 ,即认为在低粘度液体如水里 ,存在分子间的多量子相干 (MQC) .根据理论分析及实验结果 ,本文将对液体中HTA和分子间MQC作一仔细考查 .结论是 :( 1 )室温下 ,常规NMR样品如水 ,不是一个宏观量子系统 ;( 2 )室温下 ,HTA仍然是NMR里最值得信赖的近似 ;( 3 )质子COSY谱 (如水 )中所观察到的多重自旋回波 (MSE)峰并不意味存在分子间的量子力学自旋相互作用 High-temperature approximation (HTA) is a well-established and widely used approximation of NMR spectroscopy and MRI techniques. In recent years there have been a number of compelling articles asserting that for proton COZY spectra of concentrated solutions in high fields, such as water, Approximation will fail. Equally surprising to the claimed HTA failure is one of its by-products, which is thought to be inter-molecular multiple quantum coherence (MQC) in low viscosity liquids such as water.According to theoretical analysis and experimental results, The HTA in liquid and the intermolecular MQC make a careful examination, concluding that (1) the conventional NMR sample, such as water, is not a macroscopic quantum system at room temperature; (2) HTA remains the most reliable approximation in NMR at room temperature; 3) Multiple spin echo (MSE) peaks observed in proton COZY spectra (such as water) do not imply the presence of intermolecular quantum mechanical spin interactions
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