Ethylenedione : An intrinsically short-lived molecule
Schroder, D., Heinemann, C., Schwarz, H., Harvey, J. N., Dua, S., Blanksby, Stephen J., & Bowie, J. H. (1999) Ethylenedione : An intrinsically short-lived molecule. Chemistry-a European Journal, 4(12), pp. 2550-2557.
Ethylenedione C2O2 is one of the elusive small molecules which have remained undetected even after numerous attempts with different experimental techniques, 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 ethylenedione by means of charge reversal and neutralization -reionization mass spectrometry. These experimental results, in conjunction with theoretical calculations, 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 the singlet surface within a few nanoseconds.
Impact and interest:
Citation counts are sourced monthly from and citation databases.
These databases contain citations from different subsets of available publications and different time periods and thus the citation count from each is usually different. Some works are not in either database and no count is displayed. Scopus includes citations from articles published in 1996 onwards, and Web of Science® generally from 1980 onwards.
Citations counts from theindexing service can be viewed at the linked Google Scholar™ search.
|Item Type:||Journal Article|
|Keywords:||ab initio calculations, ketones, mass spectrometry, spin crossover, reionization mass-spectrometry, lowest energy point, gas-phase, carbon-monoxide, wave-functions, radical-anion, generation, ions, chemistry, abinitio|
|ISSN:||1521-3765 (online) 0947-6539 (print)|
|Divisions:||Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
|Copyright Owner:||Copyright 1998 WILEY-VCH Verlag GmbH, D-69451 Weinheim, Fed. Rep. of Germany.|
|Deposited On:||09 May 2014 01:57|
|Last Modified:||09 May 2014 01:57|
Repository Staff Only: item control page