ADDITIVITY OF FLUORINE SUBSTITUENT EFFECTS IN RUTHENOCENE IONIZATION ENERGETICS

Authors
RICHARDSON DE LANG L EYLER JR KIRCUS SR ZHENG XM MORSE CA HUGHES RP
Citation
De. Richardson et al., ADDITIVITY OF FLUORINE SUBSTITUENT EFFECTS IN RUTHENOCENE IONIZATION ENERGETICS, Organometallics, 16(1), 1997, pp. 149-150
Citations number
14
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Inorganic & Nuclear
Journal title
Organometallics → ACNP
ISSN journal
02767333
Volume
16
Issue
1
Year of publication
1997
Pages
149 - 150
Database
ISI
SICI code
0276-7333(1997)16:1<149:AOFSEI>2.0.ZU;2-T
Abstract
Free energies of ionization (Delta G(i) degrees in the gas phase have been determined for the seven fluorine-substituted ruthenocenes with f ormulas (eta(5)-C(5)Me(5))(eta(5)-C5H5-n)Ru (n = 1-5) and (eta(5)-C5H5 )(eta(5)-C5F5)Ru. In (eta(5)-C(5)Me(5))(eta(5)-C5H5-nFn)Ru (n = 1-5), each additional fluorine was found to increase the ionization free ene rgy by 3.7 +/- 0.5 Kcal mol(-1), and the Delta G(i) degrees difference between the two possible isomers for n = 2 and n = 3 was found to be less than or equal to 1 heal mol(-1). Therefore, the intrinsic effect of each fluorine substituent on ionization energy is approximately add itive.