Method for obtaining high-resolution three-dimensional NMR spectrum under non-uniform magnetic field

Abstract

The invention provides a method for obtaining a high-resolution three-dimensional NMR spectrum under a non-uniform magnetic field, and relates to nuclear magnetic resonance spectrometers. The method comprises the steps that (1) a one-dimensional spectrum is sampled by using a conventional one-dimensional pulse sequence and used for analyzing the condition of the non-uniformity of the magnetic field to obtain the line width of a spectral line and provide a basis for experimental spectral width parameter settings; (2) a precompiled intermolecular zero-quantum-coherence three-dimensional spectrum pulse sequence is guided into a nuclear magnetic resonance spectrometer; (3) an intermolecular zero-quantum-coherence signal selection module, an indirect dimension evolution period t1 module, an indirect dimension evolution period t2 module, an indirect dimension evolution period t3 module and a signal sampling period t4 module of the intermolecular zero-quantum-coherence three-dimensional spectrum pulse sequence are opened, and experiment parameters of all the modules of the pulse sequence are set; (4) the intermolecular zero-quantum-coherence three-dimensional spectrum pulse sequence in the step (3) after experimental parameter setting is executed, and data sampling is performed; (5) after data sampling is completed, relevant data post-processing is performed, so that the high-resolution three-dimensional NMR spectrum free of influence by the non-uniform magnetic field is obtained.

Description

technical field [0001] The invention relates to a nuclear magnetic resonance (NMR, Nuclear Magnetic Resonance) spectrometer, in particular to a method for obtaining a high-resolution nuclear magnetic resonance three-dimensional spectrum under an inhomogeneous magnetic field. Background technique [0002] NMR spectroscopy is a recognized important tool for studying molecular structure, composition and molecular dynamics, and is widely used in various fields such as chemistry, materials and life sciences. Based on the needs of applications, a large number of spectral pulse sequences and sampling methods have been proposed. These methods include one-dimensional sequences and multi-dimensional sequences. Usually, for some samples with simple chemical composition and molecular structure, one-dimensional and two-dimensional pulse sequences are often enough to meet the needs of application analysis. Since the sampling time of one-dimensional and two-dimensional experiments is rela...

AI Technical Summary

Problems solved by technology

The existing methods for improving the uniformity of the magnetic field (including hardware and software) have many limitations in application, such as the need to obtain the magnetic field distribution in advance, etc.

[0004] Although there are a series of hardware and software shimming methods to improve the uniformity of the magnetic field, due to its own limitations, the conventional three-dimensional spectrum sequence configured by the current standard NMR spectrometer still cannot be applied in an unideal magnetic field environment

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