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SUMMARY:Why Does Cyclobutane-1\,2\,3\,4-tetraone Have a Triplet Ground Sta
 te - Professor Wes Borden\, University of North Texas
DTSTART:20130522T131500Z
DTEND:20130522T141500Z
UID:TALK45142@talks.cam.ac.uk
CONTACT:Aron Cohen
DESCRIPTION:As predicted\,1 cyclobutane-1\,2\,3\,4-tetraone\, (CO)4\, has 
 been found by negative ion photo-electron spectroscopy (NIPES) to have a t
 riplet ground state.2 Why does this apparently unexceptional organic molec
 ule have a ground state with two unpaired electrons? Which\, if any\, othe
 r members of the (CO)n series are calculated to have a triplet ground stat
 e? Is (CS)4 or (CSe)4 predicted to have a triplet ground state? What are t
 he factors that control the spin of the ground state of these molecules? A
 ll of these questions have been addressed by a combination of qualitative 
 MO theory and quantitative electronic structure calculations\;3\,4 and the
  predictions\, made by the calculations\, have been tested by NIPES.
LOCATION:Department of Chemistry\, Cambridge\, Pfizer lecture theatre
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