Brüschweiler Rafael
Carlson School of Chemistry and Biochemistry, Clark University, Worcester, Massachusetts 01610, USA.
J Chem Phys. 2004 Jul 1;121(1):409-14. doi: 10.1063/1.1755652.
Covariance nuclear magnetic resonance (NMR) spectroscopy provides an effective way for establishing nuclear spin connectivities in molecular systems. The method, which identifies correlated spin dynamics in terms of covariances between 1D spectra, benefits from a high spectral resolution along the indirect dimension without requiring apodization and Fourier transformation along this dimension. The theoretical treatment of covariance NMR spectroscopy is given for NOESY and TOCSY experiments. It is shown that for a large class of 2D NMR experiments the covariance spectrum and the 2D Fourier transform spectrum can be related to each other by means of Parseval's theorem. A general procedure is presented for the construction of a symmetric spectrum with improved resolution along the indirect frequency domain as compared to the 2D FT spectrum.
协方差核磁共振（NMR）光谱学为在分子系统中建立核自旋连接性提供了一种有效方法。该方法根据一维谱之间的协方差来识别相关的自旋动力学，受益于沿间接维度的高光谱分辨率，而无需沿该维度进行变迹和傅里叶变换。给出了NOESY和TOCSY实验的协方差NMR光谱学的理论处理。结果表明，对于一大类二维NMR实验，协方差谱和二维傅里叶变换谱可以通过帕塞瓦尔定理相互关联。提出了一种通用程序，用于构建与二维傅里叶变换谱相比在间接频域具有更高分辨率的对称谱。
