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

  1. Introduction and Background
  2. Potential Difficulties for 3B2 Predictions
  3. New Challenges from Experiment
  4. Zeeman Anticrossing Spectra Anomalies
  5. Conclusions


next
Next: Introduction and Background
C. David Sherrill
28 Jan 2000