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Ab initio investigation of the temporary anion states of perfluoroethane

Falcetta, MF and Choi, Y and Jordan, KD (2000) Ab initio investigation of the temporary anion states of perfluoroethane. Journal of Physical Chemistry A, 104 (42). 9605 - 9612. ISSN 1089-5639

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The stabilization method is used to characterize the temporary anion states of C2F6. Based on the theoretical results, we assign the lowest-energy feature in the electron transmission spectrum of C2F6 to the 2Eu groundstate anion and the second feature to overlapping 12Au, 12A1g, 22Au, and 12Eg anion states. It is also proposed that the bimodal kinetic energy distribution of the F- ions produced in the dissociative attachment of near 5 eV electrons on C2F6 is due to the Jahn-Teller effect. © 2000 American Chemical Society.


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Item Type: Article
Status: Published
CreatorsEmailPitt UsernameORCID
Falcetta, MF
Choi, Y
Jordan, KDjordan@pitt.eduJORDAN
Centers: Other Centers, Institutes, Offices, or Units > Center for Molecular and Materials Simulations
Date: 26 October 2000
Date Type: Publication
Journal or Publication Title: Journal of Physical Chemistry A
Volume: 104
Number: 42
Page Range: 9605 - 9612
DOI or Unique Handle: 10.1021/jp001782l
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
ISSN: 1089-5639
Date Deposited: 12 Nov 2012 15:11
Last Modified: 22 Jun 2021 12:55


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