Triplet Electronic States of Acetylene:
Synergy Between Theory and Experiment
C. David Sherrill
School of Chemistry and
Biochemistry
Georgia Institute of
Technology
Atlanta, GA 30032-0400
Here we will describe some of our work on the electronic states of
acetylene, C2H2, focusing particularly on its
triplet states. This work has resulted in a very healthy interplay
between theory and experiment to answer several controversial or
unctertain aspects of acetylene's electronic structure.
Contents
- Introduction and Background
- Potential Difficulties for
3B2 Predictions
- New Challenges from Experiment
- Zeeman Anticrossing Spectra Anomalies
- Conclusions
Next: Introduction and Background
C. David
Sherrill
28 Jan 2000