The Lowest Singlet and Triplet States of the Oxylallyl Diradical

Authors

David A. Hrovat, University of North Texas
Stephen J. Blanksby, University of WollongongFollow
W C. Lineberger, University of Colorado
Andrei Sanov, University of Arizona
Luis Verlarde, University of Arizona
Weston T. Borden, University of North Texas
Daniel J. Goebbert, University of Colorado
Adam J. Gianola, University of Colorado
Xin Zhou, University of North Texas
Stephanie M. Villano, University of Colorado
Takatoshi Ichino, University of Colorado

RIS ID

30592

Abstract

Photodetachment of the oxyallyl radical anion leads to formation of the oxyallyl diradical, an elusive transient molecule involved in many organic reactions. As described by W. C. Lineberger et al. in their Communication on page 8509 ff., the photoelectron spectrum reveals that the oxyallyl ground state is singlet and the lowest triplet state is only 55 meV higher in energy. The spectral profile indicates that the planar singlet state is the transition state for ringopening of cyclopropanone, whilst the CCC bending motion is activated upon photodetachment to the triplet state.

Grant Number

ARC/DP0986738

Additional Grant Number

http://purl.org/au-research/grants/ARC/DP0986738