Hello Vernon,
I ran into the same thing myself a little while ago when upgrading the
TopSpin software to a newer version.
Is there an "easy way" to add a new solvent to the list? It isn't very
hard.
In either the "edlock" or "edsolv" table, if you click the "edit" button
on the menu, you will see the option to "add solvent"
Select "add solvent" and you will be asked to enter the NMR
administrator password for TopSpin.
Then you will be presented with a blank form asking you to enter some
pertinent parameters for the new solvent you want to add such as solvent
name, BP, MP and the like. You should be able to find that
information from the solvent MSDS.
Once you have "saved" the new solvent, it will automatically appear in
the "edlock" table with a set of "default" lock parameters. Double-click
the newly added solvent and you will be able to edit the parameters like
"Lock Power", "Loop Gain" /etc.
/As a first guess, I would use the same parameters as CDCl3. TFA-d has
one deuteron, and so does CDCl3. However, you need to manually add the
chemical shift where you would expect to find TFA-d, namely 11.5 ppm.
Once you have done all that, load a sample in TFA and try to lock. If it
works, then your job is done. If you find you need to tweak the lock to
be rather weak or noisy, you may need to tweak the lock parameters.
It's the same basic procedure for HFiP-d2, but in that case you enter
two different chemical shifts for the two different deuterium signals.
You can have a look at solvents like methanol-d4 or toluene-d8 to see
how the multiple solvent chemical shifts are handled.
I hope this helps.
Bob.
On 2023-10-27 8:20 a.m., Vernon M Russell via groups.io wrote:
>
>
> Caution: External email.
>
>
> TFA-D used to be one of the standard solvents to lock on in Topspin.
> However after a recent upgrade (Topspin 4.1) the solvent is not
> present in edlock or edsolv. Is there an easy way to add? I would also
> like to add HFiP-D2 although that might be more involved.
>
> Thanks,
> Vernon
>
> *Vernon Russell
> *vrussell_at_wlgore.com
> *
> W. L. Gore & Associates, Inc.
> /Together, improving life/*
> Elkton, MD 21922-1320
> USA
>
>
--
Dr. Bob Berno
Manager, NMR Facility
McMaster University, ABB-156
1280 Main St. West
Hamilton, ON L8S 4M1
T: 905-525-9140 x24158 or x24686
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Received on Fri Oct 27 2023 - 11:47:28 MST