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An ESR Study of the Radical Cations of Tetrathiafulvalene (TTF) and Electron Donors Containing the TTF Moiety
Author(s) -
Ćavara Luka,
Gerson Fabian,
Cowan Dwaine O.,
Lerstrup Knud
Publication year - 1986
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19860690117
Subject(s) - chemistry , tetrathiafulvalene , moiety , radical ion , hyperfine structure , crystallography , electron paramagnetic resonance , population , electron , hyperfine coupling , stereochemistry , molecule , medicinal chemistry , radical , ion , nuclear magnetic resonance , organic chemistry , atomic physics , physics , demography , quantum mechanics , sociology
Hyperfine data and g factors are reported for the radical cations of tetrathiafulvalene (TTF; 1 ) and of its derivatives 2–13 . From the intense satellite spectra of 1 + – 13 + not only the coupling constants of the 33 S isotopes in the TTF moiety could be determined, but also, in favourable cases, those of the 13 C isotopes in the central double bond. The former values range from 0.370 ( 8 + ) to 0.470 mT ( 4 + ) and the latter from 0.255 ( 8 + ) to 0.360 mT ( 4 + ) in the radical cations of bis(ethylenedithio)‐TTF ( 8 + ) and tetracyano‐TTF ( 4 + ). The radical cation of TTF ( 1 + ) exhibits intermediate values, 0.425 for the 33 S and 0.285 mT for the 13 C isotopes. The spin population in 1 + – 13 + resides, to a large extent, in the central S 2 C CS 2 part of the π‐system. It tends to increase (decrease) by substitution with electron‐accepting (donating) groups in the 2,3,6,7‐positions of TTF.