Use WWW-based methods to maximize
understanding, without simply replacing static pictures in print
with static pictures on the Web. Connection with computational
chemistry is highly desirable, fostering first principles
"discovery" of molecular properties and subject to experimental
verification.
Method
Use computational chemistry to
predict vibrational modes of organic molecules. These modes will
be reproducible by others using the same computational program to
investigate the same molecule.
Use a freeware Chime (version 2,
MDL Inc.) to visualize organic vibrational modes. Commercial
versions of Chime have even more capabilities than the freeware
version.
Use the JCAMP-DX viewer
capability of Chime (created by Dr. R. J. Lancashire of UWI-Mona)
to display, manipulate, and link experimental spectra to dynamic
pictures of vibrations.
Method Notes
For best viewing of these pages,
you will want the following two plugins.
The molecular and spectral animations require Chime,
which displays molecular structures and spectra.
You may also just wait and get
them later, when requested by subsequent pages.
Reference
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]
