Journal article

Semi-conducting mixed-valent X(4)TCNQ(I-/II-)(X = H, F) charge-transfer complexes with C6H2(NH2)(4)

Ashley L Sutton, Brendan F Abrahams, Deanna M D'Alessandro, Lars Goerigk, Timothy A Hudson, Richard Robson, Pavel M Usov

JOURNAL OF MATERIALS CHEMISTRY C | ROYAL SOC CHEMISTRY | Published : 2020

Abstract

We report further characterisation on the previously described [C6H2(NH2)4][TCNQ] charge-transfer (CT) complex. An in-depth analysis of the crystallographic data aided by spectroscopic methods indicates the compound is mixed-valent with TCNQI−/II− species. The analogous F4TCNQ CT complex has been synthesised and spectroscopic methods suggest that [C6H2(NH2)4][F4TCNQ] is also mixed-valent. Electrical conductivity measurements on both complexes indicate semi-conductor behaviour, with [C6H2(NH2)4][TCNQ] exhibiting a σ300K = 9.8 × 10−4 S cm−1 and an Ea = 0.10(1) eV. Density functional theory studies on both CT complexes reveal band structures suggestive of ambipolar transport, with a super-excha..

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Grants

Awarded by Australian Research Council


Funding Acknowledgements

The support of the Australian Research Council (DP180101413 and FT170100283) is gratefully acknowledged. ALS thanks the Australian Government for an Australian Postgraduate Award. This research was undertaken with the assistance of resources and services from the National Computational Infrastructure (NCI), within the National Computational Merit Allocation Scheme (project fk5).