扩散序谱(DOSY)实验中扩散系数维数字分辨率的影响

doi:10.11938/cjmr20182623

摘要/Abstract

摘要： 核磁共振二维扩散序谱（DOSY）实验测定溶液中分子自扩散系数时，扩散系数维的数据点及其数字分辨率直接影响了测定值的精度.在较系统地确定了DOSY实验本身偏差范围的基础上，本文研究了扩散系数维不同的数字分辨率对测定值的影响，包括其引入偏差的来源以及形成偏差的大小.由于不同的溶液条件下分子扩散系数的改变可直接用于表征分子结构或状态的变化，本文提出的相对数字分辨率与扩散系数相对变化值的直接比较，可直观地表明数字分辨率对扩散系数测定值的影响.

关键词: 液体核磁共振(liquid-state NMR), 数字分辨率, 扩散序谱(DOSY), 自扩散系数

Abstract: Diffusion ordered spectroscopy (DOSY) is widely used to measure molecular self-diffusion coefficient. In DOSY spectra, the digital resolution of the diffusional coefficient dimension could have notable effects on the measurement accuracy under certain circumstances. In this study, we first assessed the deviation range of the DOSY experiment itself systematically. The magnitudes and sources of deviation induced by digital resolution were then investigated by applying a variety of digital resolutions into the processing of DOSY spectra. It was proposed that relative digital resolution could be compared to relative molecular diffusion coefficient changes, demonstrating directly the effects of digital resolution on diffusion coefficient measurement.

Key words: liquid-state NMR, digital resolution, diffusion ordered spectroscopy (DOSY), self-diffusion coefficient

中图分类号:

O482.53

黄俊霖, 余亦华. 扩散序谱(DOSY)实验中扩散系数维数字分辨率的影响[J]. 波谱学杂志, 2018, 35(3): 287-293.

HUANG Jun-lin, YU Yi-hua. Effects of Digital Resolution on Diffusional Dimension in DOSY Experiments[J]. Chinese Journal of Magnetic Resonance, 2018, 35(3): 287-293.

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