Abstract
The MINDO/3 SCF MO method
has been used to investigate the equilibrium geometries, electronic structure
and ground state properties of ttf and tcnq and their uni- and di-valent ions. An analysis of the results indicates that
both ttf+ and tcnq-
have low energies of disproportionation and that electron addition or removal
leads to significant structural change. These considerations are discussed in
the light of recent suggestions that at low temperatures the charge- transfer
salt (ttf)(tcnq) gives rise
to superconducting fluctuations, superimposed on the general characteristics of
an organic metal.
Cited by
75 articles.
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