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非均匀场中的高分辨率二维相关光谱学:分子间零量子相干的新应用。

High-resolution two-dimensional correlation spectroscopy in inhomogeneous fields: new application of intermolecular zero-quantum coherences.

机构信息

Department of Physics, Fujian Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen 361005, People's Republic of China.

出版信息

J Chem Phys. 2010 Apr 7;132(13):134507. doi: 10.1063/1.3374409.

DOI:10.1063/1.3374409
PMID:20387941
Abstract

A new pulse sequence is proposed based on intermolecular zero-quantum coherences (iZQCs) to obtain high-resolution two-dimensional (2D) correlation spectroscopy (COSY) in inhomogeneous fields via three-dimensional (3D) acquisition. This sequence extends the high-resolution iZQC approaches from one dimension to two dimensions. Since the iZQC evolution periods in the new sequence are insensitive to the field inhomogeneities, high-resolution COSY spectra can be recovered from inhomogeneous fields by projecting the 3D data onto the indirectly acquired 2D plane. Theoretical expressions were derived according to the distant dipolar field treatment combined with product operator formalism. Both the experimental observations and computer simulations are consistent with the theoretical predictions. The new sequence thus provides an attractive way to eliminate the influences of field inhomogeneity on the conventional COSY methods, which may be useful for the study of chemical and biological materials.

摘要

提出了一种新的基于分子间零量子相干(iZQC)的脉冲序列,通过三维(3D)采集在非均匀场中获得高分辨率二维(2D)相关光谱(COSY)。该序列将高分辨率 iZQC 方法从一维扩展到二维。由于新序列中的 iZQC 演化周期对场不均匀性不敏感,因此可以通过将 3D 数据投影到间接获得的 2D 平面上来从非均匀场中恢复高分辨率 COSY 谱。根据远偶极场处理结合乘积算符形式推导了理论表达式。实验观察和计算机模拟都与理论预测一致。因此,该新序列为消除场不均匀性对传统 COSY 方法的影响提供了一种有吸引力的方法,这可能对化学和生物材料的研究有用。

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