Infrared Spectral Data

Infrared spectra are collected on a Perkin-Elmer (Shelton, CT) Spectrum One Fourier-Transform Infrared (FTIR) absorption instrument equipped with a Universal (diamond) attenuated total reflectance (uATR) sampling accessory. Data over the range of 4000-650 cm-1 are collected at 1 cm-1 resolution; 16 scans are ensemble averaged for improved signal-to-noise (S/N) ratio. The ATR correction is applied using the PE Spectrum v5.3.1 software.

JCAMP File Information
Data is saved directly by the PE Spectrum program in JCAMP .dx format. The JCAMP files should be modified by adding the lines in the file IR-JCAMPheaderAdds.txt (available in the file downloads section below), which includes fields to add both operator and detailed sample preparation information.

Creating an HTML file to Load the JCAMP-DX File into JSpecView
You now need to create an html file that opens the newly created JCAMP file in the JSpecView applet. Copy the IR-JSpecViewTemplate.htm template file (located in the file downloads section below) and rename it for the molecule of interest (IR-MA####.htm, where MA#### is the ID number of the matrix). Edit the html title and header tags to include the name of the compound and add the appropriate JCAMP filename in the three JSpecView load calls in the html template using WordPad or Notepad. Upload both the .htm and JCAMP-DX file to the JSpecView folder on the showme server ( using the WinSCP v3.82 program. Add the .htm file to the wiki page and be sure to test the spectral display.

File Downloads