Gas-phase syntheses of three isomeric C5H2 radical anions and their elusive neutrals. A joint experimental and theoretical study

Blanksby, Stephen J., Dua, S., Bowle, J. H., Schröder, D., & Schwarz, H. (1998) Gas-phase syntheses of three isomeric C5H2 radical anions and their elusive neutrals. A joint experimental and theoretical study. Journal of Physical Chemistry A, 102(48), pp. 9949-9956.

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Abstract

Three different radical anions of the empirical formula C5H2 have been generated by negative ion chemical ionization mass spectrometry in the gas phase. The isomers C4CH2 •-, and HC5H•- have been synthesized by unequivocal routes and their connectivities confirmed by deuterium labeling, charge reversal, and neutralization reionization experiments. The results also provided evidence for the existence of neutrals C4CH2, C2CHC2H, and HC5H as stable species; this is the first reported observation of C2CHC2H. Ab initio calculations confirm these structures to be minima on the anion and neutral potential energy surfaces.

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30 citations in Web of Science®

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ID Code: 71653
Item Type: Journal Article
Refereed: Yes
Additional URLs:
DOI: 10.1021/jp982780s
ISSN: 1520-5215 (online) 1089-5639 (print)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 1998 American Chemical Society
Deposited On: 20 May 2014 23:50
Last Modified: 20 May 2014 23:50

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