Step 3 Examples of Vibrational Mode Displays

In order for the examples linked below to work, you must first get
Chime version 2 plugin for PC-Windows (includes JCAMP-DX viewer capability)
See the limits of testing of these vibrational displays.

Unlinked Chime windows

• This is a simple example of a page that shows a spectrum and a molecule. Both may be manipulated separately, but there is no linkage of the windows that show the two.

Linked simultaneous display

• This is an example of a page that shows a spectrum and a molecule. Both may be manipulated separately, and there is a point-and-click linkage between the spectrum and a set of files that show molecular vibrational animations. The animations are a concatenated set of molecular geometries that are run as a "slide-show", and have been extracted by VIBREAD from computations.

Spectral Tutorials Used at UMass-Amherst

• FTIR-spectra were obtained on a Midac spectrometer, converted to JCAMP-DX format, and used in most of these examples. Computations of vibrational modes were accomplished on a PC or SGI workstation, using Spartan or Gaussian.

Spectroscopy problems used at the University of the West Indies, Mona, Jamaica.

For other details, see

• Paul M. Lahti, Eric J. Motyka, Robert J. Lancashire, "Interactive Visualization of Infrared Spectral Data: Synergy of Computation, Visualization and Experiment for Learning Spectroscopy", Journal of Chemical Education, 77, 649-653 (2000). [ ABSTRACT]