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Original Articles

Molecular Vibration Analysis of lonicity and Phase Transition in TMPD-TCNQ (1:1) Charge Transfer Salt

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Pages 325-343 | Received 19 Mar 1984, Published online: 20 Apr 2011

References

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  • Bozio , R. and Pecile , C. 1980 . The Physics and Chemistry of Low Dimensional Solids , Edited by: Alcacer , L. 165 Dordrecht : Riedel . and references therein
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  • Girlando , A. , Pecile , C. and Painelli , A. 1983 . J. Physique , C3 : 1547
  • A stack is termed regular when each molecule has the same CT integral with its two neighbours along the chain, and dimerized when the integrals are different. We use the term “dimerized” in place of the more correct “alternating” since the latter is also used to describe the alternating nature of the … DAD … molecules in the mixed stack. The alternation of the CT integrals is quite naturally associated with a difference of the DA distance long the stack, but the possibility of a difference of the DA overlaps due to the peculiar reciprocal orientation of the molecules should also be kept in mind
  • Girlando , A. , Pecile , C. and Torrance , J. B. to be published
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  • Choice of the molecular axes; z, along the benzene-Nitrogen bonds; x, normal to the benzenic ring
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  • Bozio , R. and Pecile , C. unpublished results
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  • Girlando , A. , Painelli , A. and Pecile , C. manuscript in preparation. It is useful to anticipate that for TMPD-Chloranil the vibrational data indicate a degree of ionicity of about 0.6
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