Bruker NMR, Руководство пользователя

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Getting Started
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Figure 4.4: Edit Lock Parameters.
Every solvent entry contains information about every
2
H signal for that compound.
It is possible to define all the signals for solvents with more than one 2 H signal either as
Signal, as Lock (signal used for field lock) or as Temperature (signal used for the NMR
Thermometer).
For any NMR Thermometer substance, temperature and shift values can be added or
imported (see below). The NMR Thermometer has its own lock power (figure above). For
methanol (NMR Thermometer, standard sample: 99.8% deuterated methanol) a default
solvent with corresponding lock parameters and temperature-shift value has already been
defined.
Setting up the NMR System for the NMR Thermometer
Since the NMR Thermometer is observing a 2 H signal, the system has to be properly set up
(lock, shimming, optimal lock parameters for the field lock and NMR Thermometer), similar to
any other NMR measurement. This means that you should perform an automatic tuning and
matching (
atma ), lock-in, and shimming. The lock-in procedure works as usual (type lock on
the command line and select the solvent). If you lock directly on a solvent dedicated for the
NMR Thermometer (methanol or another solvent), a temperature value is immediately
shown, either in the monitoring mode or regulation mode (figure below). After that you can
perform
topshim . A decent line shape (no unusual line splitting) is mandatory for an exact
temperature measurement inside the sample.
4.2