MRG QuickNotes ©1998

Idiot-proof Procedure for Working Up an NMR Spectrum Using GRAMS/32

with your Tour Guide: Greg Brust

M Do not turn PC off.

MM Do not change any of the program or computer default settings.

MMM NEVER Download anything to the polymer science computers.

Importing a file:

- Pull down File menu

- Select Import/Export

- At Convert window

- Select BRUKER

- Click Import

- Select data file (may need to select "All files (*.*)")

- Click OK

- At File Import window

- Change name of file (if necessary)

- Under "Output File Type select Spectra (*.SPC) & click OK

- Select Complex Output & click OK

- Pull down File menu

- Select Open

- Select desired data file in SPC format & click OK

- Pull down Arithmetic menu

- Select Do Program

- Select nmrapps.ab and click OK

- Click Apodize

- Select Matched exponential and click OK

- When asked for a line broadening value:

- For Proton spectra

- Click OK

- Use + and - keys on number pad to make green line "fit" FID, then hit enter.

- For Carbon 13 spectra

- Type 2.7 and click OK

- Click FFT

- Click Zero order

- Use + and - keys on the number pad to make baseline level (in case of ¹³C spectra, press F4 to flip 180^o) then press enter.

- Click Done

- Click Disk save

- Click X-axis

- Click Select ref

- Choose reference peak on spectra (chloroform, TMS, etc)

- Input appropriate chemical shift in PPM (CD3Cl - 77.26, TMS - 0)

- Click OK

- Click Quit

All spectra should have the same limits so that they can easily be compared. Here is how to solve that problem.

- Pull down View menu

- Select XYZ Settings

- Input desired left and right X limits

- for ¹H spectra - left = 10 right = -0.5 (unless spectrum

- for ¹³C spectra - left = 200 right = 0 exceeds these limits)

- Click OK