核磁共振波谱 Data Acquisition

NMR Spectroscopy Data Acquisition 2002 wiley VCH Verlag GmbH and Co KGaA ISBN:3-527-28827-9 pdf 357 author：Christian Schorn Preface The application of NMR spectroscopy into new fields of research continues on an almost daily basis. High-resolution NMR experiments on compounds of low molecular mass in the liquid phase are now routine and modern NMR spectroscopy is aimed at overcoming some of the inherent problems associated with the technique. Thus higher magnetic field strengths can be used to help overcome the problems associated with low sample concentration enabling the analysis of complex spectra of large acromolecules such as proteins whilst also helping to advance the study of non liquid samples by MAS and solid state NMR spectroscopy. Apart from the chemical and physical research fields NMR spectroscopy has become an integral part of industrial production and medicine, e.g. by MRI (magnetic resonance imaging) and MRS (magnetic resonance spectroscopy). The basic principles of acquiring the raw time domain data, processing this data and then analysing the spectra is similar irrespective of the particular technique used. The diversity of NMR is such that a newcomer to NMR spectroscopy might train in the field of high resolution NMR and establish his career in solid state NMR. A distinct advantage of NMR spectroscopy is that the basic knowledge of acquisition, processing and analysis may be transferred from one field of endeavour to another. These ideas and perspectives were the origin for the series entitled Spectroscopic Techniques: An Interactive Course. The section relating to NMR Spectroscopy, consists of four volumes • Volume 1 – Processing Strategies • Volume 2 – Data Acquisition • Volume 3 – Modern Spectral Analysis • Volume 4 – Intelligent Data Management 1 Introduction 1 1.1 Scope and Audience 1 1.1.1 Simulation environment 2 1.1.2 Book content 3 1.2 Software 4 1.2.1 Installation 4 1.2.2 The User Interfaces of NMR-SIM, 1D and 2D WIN-NMR 7 1.2.3 Data Organization 9 1.3 The Check its 11 1.4 Book Layout 16 1.5 References 17 2 Background on Simulation 19 2.1 Description of real Samples - spin systems and processes on spin systems 20 2.1.1 Spin system parameters 20 2.1.2 Coherence transfer processes 21 2.2 Description of Pulse Sequences 22 2.2.1 Density Matrix Formalism 22 2.2.2 Product Operator Formalism 24 2.2.3 Coherence Level Scheme 28 2.2.4 Energy Level Scheme 31 2.3 Signal Detection 32 2.3.1 Quadrature Detection 32 2.3.2 Decoupling Methods 41 2.3.3 Coherence Selection - Phase Cycling and Gradients 43 2.4 References 60