Ethylenedione: An intrinsically short-lived molecule

Citation
D. Schroder et al., Ethylenedione: An intrinsically short-lived molecule, CHEM-EUR J, 4(12), 1998, pp. 2550-2557
Citations number
77
Categorie Soggetti
Chemistry
Journal title
CHEMISTRY-A EUROPEAN JOURNAL
ISSN journal
09476539 → ACNP
Volume
4
Issue
12
Year of publication
1998
Pages
2550 - 2557
Database
ISI
SICI code
0947-6539(199812)4:12<2550:EAISM>2.0.ZU;2-V
Abstract
Ethylenedione C2O2 is one of the elusive small molecules which have remaine d undetected even after numerous attempts with different experimental techn iques, This is surprising, since theoretical studies predicted the triplet state of C2O2 to be stable towards spin-allowed dissociation and hence long -lived. Here we report a comprehensive study of charged and neutral ethylen edione by means of charge reversal and neutralization -reionization mass sp ectrometry. These experimental results, in conjunction with theoretical cal culations, suggest that neutral ethylenedione is intrinsically short-lived rather than being elusive, Both the singlet and triplet states of C2O2 are predicted to dissociate rapidly into two ground-state CO molecules, and for the triplet species, this dissociation involves facile curve-crossing to t he singlet surface within a few nanoseconds.