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Understanding NMR Keeler

Understanding NMR Keeler

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Published by Mohammed Ajmal
Understanding NMR Keeler
Understanding NMR Keeler

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Published by: Mohammed Ajmal on Mar 17, 2013
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08/18/2013

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Understanding NMRSpectroscopy
James Keeler
University of Cambridge, Department of Chemistry
c
James Keeler, 2002
 
1 What this course is about
This course is aimed at those who are already familiar with using NMR on aday-to-day basis, but who wish to deepen their understanding of how NMRexperiments work and the theory behind them. It will be assumed that you arefamiliar with the concepts of chemical shifts and couplings, and are used tointerpreting proton and
13
C spectra. It will also be assumed that you have atleast come across simple two-dimensional spectra such as COSY and HMQCand perhaps may haveused suchspectra inthecourseofyourwork. Similarly,some familiarity with the nuclear Overhauser effect (NOE) will be assumed.That NMR is a useful for chemists will be taken as self evident.This course will always use the same approach. We will first start withsomething familiar – such as multiplets we commonly see in proton NMRspectra – and then go deeper into the explanation behind this, introducingalong the way new ideas and new concepts. In this way the new things thatwe are learning are always rooted in the familiar, and we should always beable to see
why
we are doing something.In NMR there is no escape from the plain fact that to understand all butthe simplest experiments we need to use
quantum mechanics
. Luckily for us,the quantum mechanics we need for NMR is really rather simple, and if weare prepared to take it on trust, we will find that we can make quantum me-chanical calculations simply by applying a set of rules. Also, the quantummechanical tools we will use are quite intuitive and many of the calculationscan be imagined in a very physical way. So, although we will be using quan-tum mechanical ideas, we will not be using any heavy-duty theory. It is notnecessary to have studied quantum mechanics at anything more than the mostelementary level.Inevitably, we will have to use some mathematics in our description of NMR. However, the level of mathematics we need is quite low and should notpresent any problems for a science graduate. Occasionally we will use a fewideas from calculus, but even then it is not essential to understand this in greatdetail.
Course structure
The course is accompanied by a detailed set of handouts, which for conve-nience is divided up into “chapters”. You will notice an inconsistency in thestyle of these chapters; this comes about because they have been prepared (orat least the early versions of them) over a number of years for a variety of purposes. The notes are sufficiently complete that you should not need to takemany extra notes during the lectures.Each chapter has associated with it some exercises which are intended toillustrate the course material; unless you do the exercises you will not under-stand the material. In addition, there will be some practical exercises which

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