Drylab Course on Non-first-order NMR
This course aims to teach practical sub-spectral analysis of spin systems
ranging from AB to AA'XX' to beginners in this art, who have learnt about
homonuclear first order spectra and are just starting to learn about heteronuclear
systems. In contrast to traditional courses in this area, which use
examples from organic 1H NMR, this one uses inorganic 31P
NMR examples, mostly from the author's own research. In his experience,
practising organic synthetic chemists analyse non-first-order spectra relatively
rarely, whereas in identification of more symmetric inorganic molecules,
and particularly in analysing satellite spectra caused by low-abundance
isotopes, it is much more necessary.
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The course is meant to be used in a taught dry-lab class environment with
a staff : student ratio of about 1 : 10, in which the staff (postgraduate
demonstrators or academic staff) spend all their time helping students
to succeed in doing the exercises
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Students are allowed to work alone or together in groups, according to
their preference
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We have run the predecessor of this session as a 'dry' drylab, i.e. one
without computer use, in which students work through the provided worksheets
using a hand calculator, and the demonstrators check the answers when required
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Assessment requirements are minimal, because by the end of the session,
practically all of the students should have succeeded in doing all of the
calculations correctly, and have learnt a lot in so doing
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Based on our experience, used in this way, the work should take able second
year undergraduates about 4 - 5 hours, probably split over two sessions
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The data in the worksheets has been generated using the NMR simulation
program NUMARIT, so using the material as a drylab exercise in a computer
cluster room, where students could check their results for each system
by feeding them back into NUMARIT to find out whether it correctly regenerated
the provided data from their results, would be a viable and useful alternative,
of a type which we have used successfully to teach other parts of structural
chemistry and chemical spectroscopy
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NUMARIT for Windows is available for free download, and is intended to
be easy to use, to set up simulations starting from hand-calculated chemical
shifts and coupling constants, such as are obtained by the methods taught
here
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It would be easy to devise follow-up exercises using NUMARIT for Windows,
in which the student went on to investigate the effect on the spectra of
these systems, of changing some of the NMR parameters, e.g. J / delta
The course is available as a .pdf file for Acrobat Reader at
http://www.staff.ncl.ac.uk/bruce.tattershall/teaching/drylabs/nfonmr.pdf
or as a Word 2003 .doc file, at
http://www.staff.ncl.ac.uk/bruce.tattershall/teaching/drylabs/nfonmr.doc