th  - 1988 - 51st ENC Conference

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CONFORMATIONAL ANALYSIS via
VICINAL CARBON-HYDROGEN COUPLING
Andrew L. Waterhouse
Chemistry Department, Tulane University
New Orleans, LA 70118
The Fully Coupled (FUP) Correlation Experiment has been used to analyze
conformation and stereochemistry on two dissimilar compounds, strychnine
and camphor. The FUP experiment detects the vicinal coupling between
hydrogeus and carbons, and the magnitude of this coupling is appraised by
the presence or absence of cross-peaks in the spectrum plot. This corre-
lates with a first-order approximation Of the Karplus torsional angle-
relationship. The FUP experiment works better than other similar methods
that detect vicinal C-H coupling because it has no J-filters to alter the
signal intensity of the coupling.
VECTOR GRAPHICS TO DEPICT MULTIPULSE NMR
Andrew L. Waterhouse
Shawn P. Garbett
Department of Chemistry, Tulane University
New Orleans, Louisiana 70118
An educational program which graphically presents the vector diagrams
often used in explaining multipulse NMR is written for the Commodore
Amiga. It greatly enhances the clarity of the vector explanations as one
can actually see vectors refocus. "Experiments can be entered with up to
three independent signals, each of which can be coupled to 0-3
independent nuclei. While the experiment is being run, the vectors are
displayed in three dimensions, and ~e pulse sequence is shown with the
current time point indicated. The presentation can be interrupted at any
point. Presentation of a lesson can be done interactively or selected
experiments can be easily recorded on standard videotape for later
playback. Copies of the program are available.
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