http://www.cnr.it/ontology/cnr/individuo/prodotto/ID184381
Empty Level Structure and Dissociative Electron Attachment Cross Sections in Bromo and Chloro Dihaloalkanes (Articolo in rivista)
- Type
- Label
- Empty Level Structure and Dissociative Electron Attachment Cross Sections in Bromo and Chloro Dihaloalkanes (Articolo in rivista) (literal)
- Anno
- 2009-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1021/jp903507j (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Modelli, A.; Jones, D. (literal)
- Pagina inizio
- Pagina fine
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- http://pubs.acs.org/doi/pdf/10.1021/jp903507j (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Rivista
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- Università Bologna
ISOF CNR Bologna (literal)
- Titolo
- Empty Level Structure and Dissociative Electron Attachment Cross Sections in Bromo and Chloro Dihaloalkanes (literal)
- Abstract
- The energies of electron attachment associated with temporary occupation
of the C-Br and/or C-Cl virtual sigma* orbitals of dichloro,
bromochloro, and dibromo alkanes are measured in the gas phase with
electron transmission spectroscopy (ETS). The corresponding orbital
energies of the neutral molecules, supplied by HF/6-31G(d)//MP2/6-31G(d)
calculations and scaled using an empirically calibrated linear equation,
are compared with the experimental vertical attachment energies (VAEs).
The largest energy splittings between the first two sigma* anion states
are found in the methane derivatives, but two distinct resonances are
also observed in the bromochloro and dibromo ethane derivatives. The
temporary anions observed in ETS may dissociate, producing Br(-) and
Cl(-) negative fragments with widely varying cross sections over the
dihaloalkanes studied. The absolute total dissociative electron
attachment (DEA) cross sections are evaluated, and their peak values are
compared with the corresponding VAEs. In the mixed bromochloro alkanes,
the relative intensities of the Br(-) and Cl(-) anion currents detected
with a mass filter are also evaluated. (literal)
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- Autore CNR
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