Determination of ionization energies by the thermokinetic method

Guy Bouchoux 1 Danielle Leblanc 1 Michel Sablier 2
1 DCMR - Laboratoire des mécanismes réactionnels
2 Laboratoire de Chimie Structurale Organique et Biologique
Abstract : Charge transfer reactions of the type M*++B?B*++M have been studied in order to test the applicability of the "thermokinetic" method to the determination of ionization energies (IEs). Three examples are presented with M=benzene, cyclopentanone, and vinyl alcohol. The correlation observed between the bimolecular rate constants and IE(B) allows the determination of IE(M) with a mean deviation of ~0.02 eV with respect to spectroscopic values. One other advantage of the method is to provide ionization energies of unstable neutrals. The role of various corrective terms, and of possible geometry changes during charge transfer reactions are discussed. © 2001 Elsevier Science B.V.
Document type :
Journal articles
Complete list of metadatas
https://hal-polytechnique.archives-ouvertes.fr/hal-00918617
Contributor : Denis Roura <>
Submitted on : Monday, December 23, 2013 - 7:46:42 AM
Last modification on : Friday, August 30, 2019 - 4:52:02 PM

Links full text

istex

Identifiers

Collections

CNRS | X-DCMR | PARISTECH | UPMC | X | X-DEP-CHIM | SORBONNE-UNIVERSITE

Citation

Guy Bouchoux, Danielle Leblanc, Michel Sablier. Determination of ionization energies by the thermokinetic method. International Journal of Mass Spectrometry, Elsevier, 2001, 210-211, pp.189-201. ⟨10.1016/S1387-3806(01)00449-3⟩. ⟨hal-00918617⟩

Export

BibTeX TEI DC DCterms EndNote

Share

Metrics

Record views

144

Contact

CCSD