波谱学杂志 ›› 2002, Vol. 19 ›› Issue (2): 107-114.

• 研究论文 •    下一篇

NMR波谱学中的高温近似的有效性及其相关问题

丁尚武1,2, 叶朝辉2, 陈正隆1, 周金星1   

  1. 1.中山大学化学系(高雄), 高雄市莲海路70号, 台湾高雄 87424; 
    2.中国科学院武汉物理与数学所武汉磁共振研究中心, 湖北武汉 430071
  • 收稿日期:2001-11-07 修回日期:2001-12-04 出版日期:2002-06-05 发布日期:2002-06-05
  • 作者简介:丁尚武(1964-),男,湖南宁乡人,中山大学(高雄)化学系助理教授,博士
  • 基金资助:

    国科会(NSC)(台湾)自然处研究基金资助(NSC-90-2113 -M-110-011);中科院“百人计划”资助(2001CB309309).

THE VALIDITY OF HIGH TEMPERATURE APPROXIMATION IN NMR SPECTROSCOPY AND ITS RELATED PROBLEMS

DING Shang-wu1,2, YE Chao-hui2, CHEN Cheng-Lung1, CHOU Chin-H sin1   

  1. 1.Department of Chemistry, National Sun Yat-Sen University, 70 Lien-Hai Road, Kaohsiung, Taiwan 87424, China;
    2.Wuhan Center for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, The Chinese Academy of Sciences, Wuhan 430071, China
  • Received:2001-11-07 Revised:2001-12-04 Online:2002-06-05 Published:2002-06-05
  • Supported by:

    国科会(NSC)(台湾)自然处研究基金资助(NSC-90-2113 -M-110-011);中科院“百人计划”资助(2001CB309309).

摘要:

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.

关键词: 多重自旋回波峰, 高温近似, 分子间多量子相干, 去磁场

Abstract:

A large body of conspicuous publications in recent years asserts that the high t emperature approximation (HTA), a mostly tested and most widely used assumption  in NMR spectroscopy and MRI technology, is invalid for concentrated samples in h igh magnetic fields such as for a proton COSY spectrum of water. A by-product o f  the alleged collapse of HTA, which is equally surprising, is the existence of i ntermolecular multi-quantum-coherences (MQC) in low viscosity liquids such as  wa ter. In this work, both HTA and intermolecular MQCs in liquids will be criticall y examined in light of our theoretical analysis and experimental results. Our co nclusions are: (1) There are no macroscopic quantum systems in conventional NMR samples such as water at room temperature. (2) At room temperature, high tempera ture approximation is still one of the most trustworthy approximations applicabl e to NMR and (3) The MQCs observed in proton COSY spectrum in, e.g., water, have  nothing to do with quantum mechanical intermolecular spin interactions.

Key words: multi-spin echoes, high temperature approximation, intermolecular multi-quantum coherences, demagnetization field

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