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The Lowest Singlet and Triplet States of the Oxyallyl Diradical
Author(s) -
Ichino Takatoshi,
Villano Stephanie M.,
Gianola Adam J.,
Goebbert Daniel J.,
Velarde Luis,
Sanov Andrei,
Blanksby Stephen J.,
Zhou Xin,
Hrovat David A.,
Borden Weston Thatcher,
Lineberger W. Carl
Publication year - 2009
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200904417
Subject(s) - singlet state , diradical , chemistry , trimethylenemethane , triplet state , ground state , photochemistry , ion , atomic physics , excited state , physics , molecule , organic chemistry , biochemistry , cycloaddition , catalysis
Small S–T splitting : The photoelectron spectrum of the oxyallyl radical anion (see picture) reveals that the electronic ground state of oxyallyl is singlet, and the lowest triplet state is separated from the singlet state by only (55±2) meV in adiabatic energy.