The density matrix theory of triple-quantum filtered COSY (TQF-COSY) NMR experiments applied to an AX system of spins S=1: An example of passive coupling in two-dimensional NMR spectroscopy

被引：0

作者：

Kempgens, Pierre ^{[1
]}

Pinchuck, Andrew L. ^{[2
]}

机构：

[1] Rhodes Univ, Dept Chem, Grahamstown, South Africa

[2] Rhodes Univ, Dept Math, Grahamstown, South Africa

来源：

CONCEPTS IN MAGNETIC RESONANCE PART A | 2015年 / 44A卷 / 06期

关键词：

AX spin system; NMR; passive coupling; quadrupolar nuclei; spin-1; TQF-COSY; NUCLEAR-MAGNETIC-RESONANCE; MOLECULAR-STRUCTURE; QUADRUPOLAR NUCLEI; PENTAMETHYLCYCLOPENTADIENYLRHODABORANE CHEMISTRY; POLYHEDRAL BORANES; SPECTRA; PHASE; TRANSITIONS; MODULATION; CONSTANTS;

D O I：

10.1002/cmr.a.21384

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The 2D Triple-Quantum Filtered (TQF) COSY NMR spectrum of an AX spin system of spin-1 has been calculated by numerical density matrix calculations. The basic phase cycle to achieve triple quantum filtration and phase-modulation of the signal during t(1) consists of 12 steps. If nuclei A and X are not coupled, the calculations predict no peaks at all. If nuclei A and X are coupled and the multiplets are not resolved in the conventional 1D spectrum, two diagonal peaks are detected. If nuclei A and X are coupled and the multiplets are resolved in the conventional 1D spectrum, only diagonal and near-diagonal peaks are detected. One does not observe cross peaks if nuclei A and X are coupled because the coupling is passive. It is believed that the calculations presented here will be needed to calculate the Exclusive Correlation Spectroscopy (E.COSY) of an AX system of spins S=1.

引用

页码：318 / 330

页数：13

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