Index of UV/Vis/NIR JCAMP-DX files

Introduction to Theory (still to come), but a guide to the use of a Perkin Elmer Lambda 19 UV/Vis/NIR is available.

The Department was fortunate to get a PE Lambda 19 UV/VIS/NIR machine from an IDB loan and the instrument was delivered on the 15th Nov, 1995. Version 1.1 of UVWinLab, the software that controls it, had bugs in the utility for JCAMP-DX conversion. Version 1.21 of UVWinLab arrived 19th January, 1996 and this solved most of the JCAMP-DX export problems, although in the headers it says 'exported from "IR" Winlab'! and uses nm and A abbreviations.

One of the PE standard data files (tartrazin 1.1944 mg/100ml) shipped with the instrument has been converted to JCAMP-DX as an example.
Another useful test sample is generated from the vapour above a drop of benzene liquid.
The instrument came with a reflectance attachment. During the testing and training exercises a spectrum showing the reflectance of a piece of star apple skin was recorded.

The recommended method for viewing these spectra, is to use CHIME logo a 32-bit plug-in for Netscape or Internet Explorer from Molecular Design Limited, Information Systems, Inc. (MDL). This includes our code for displaying JCAMP-DX files.

We will no longer be offering the NPJDX.DLL plugin or 32-bit application JCAMPVW.EXE from the web site here, but will instead be involved in upgrades to the CHIME plugin.
A condition of our contract is that a free version for student and academic use will always be available from MDL.

So, first install CHIME and then any of the spectra below can be displayed in your browser window. You can create your own pages by simply running a spectrum, exporting the data file as a JCAMP-DX file, then use the embed statement to load the file from your web page.

For a simple form to generate a simulated UV/Vis spectrum, try out this piece of JavaScript.

Examples from Inorganic Chemistry

vis spec of Copy2X2

Visible spectra for some tetrahedral Co(II) complexes, (solutions prepared in acetone or chloroform).

Other files related to the inorganic (C21J) course on the spectroscopy of transition metal ions and the associated laboratory course are that of Co(acac)3 and the spectra of some first row transition metal aqua ions:

The acid hydrolysis of trans-[Co(en)2Cl2]Cl shows an increase in absorbance at 515 nm which can be used to monitor the kinetics of the reaction. The first and last scan from a typical student run are available for comparison. See the testdata files for a compound JCAMP-DX file containing multiple BLOCKS of a number of spectra from this experiment.

Examples from Organic Chemistry

The electronic spectrum of Pepsi-cola shows a maximum at around 270nm while grape soda shows peaks at 520 and 630nm. Other soda drinks will be run as part of an exercise looking at the use of food colour additives.

For a wide collection of spectral files, see the database held at the Lappeenranta University of Technology
Thanks to Jouni Haanpalo, from LUT, for 3 of his files giving spectra of dyes used in confectionery. I have converted these to JCAMP-DX format and they are available below.

All spectral types EPR GC IR MS NMR PDB UV/Vis

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Copyright © 2006 by Robert John Lancashire, all rights reserved.

Created and maintained by Prof. Robert J. Lancashire,
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.
Created Dec 1994. Links checked and/or last modified 4th May 2000.