NQR Investigation of the Temperature-Induced Neutral-to-Ionic Phase Transition in the Mixed-Stack Charge-Transfer Complex TTF-CA*
نویسندگان
چکیده
The chlorine-35 N Q R has been investigated in the mixed-stack charge-transfer complex tetrathiafluvalene-chloranil. The neutral-to-ionic (N-I) phase transit ion is clearly seen on the N Q R spectrum. Among several features of the spectra recorded and their counterpart in the sample behaviour, the evidence for the change in the crystal symmetry and the quite l ikely existence of neutral domains in the ionic phase below the N I transit ion temperature are the most str ik ing ones.
منابع مشابه
On the accurate estimation of intermolecular interactions and charge transfer: the case of TTF-CA.
High-resolution X-ray diffraction experiments and state-of-the-art density functional theory calculations have been performed. The validity of the atoms-in-molecules approach is tested for the neutral-ionic transition of TTF-CA which involves a transfer of less than one electron between the donor and acceptor molecules. Foremost, crystallographical data have been reassessed along the temperatur...
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