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Polymorphism in the 1:1 Charge-Transfer Complex DBTTF-TCNQ and Its Effects on Optical and Electronic Properties

Polymorphism in the 1:1 Charge-Transfer Complex DBTTF-TCNQ and Its Effects on Optical and Electronic Properties

Katelyn P Goetz, Jun'ya Tsutsumi, Sujitra Pookpanratana, Jihua Chen, Nathan S Corbin, Rakesh K Behera, Veaceslav Coropceanu, Curt A Richter, Christina A Hacker, Tatsuo Hasegawa, Oana D Jurchescu

Adv Electron Mater. 2016 Oct;2(10):1600203.

PMID: 29387522

Abstract:

The organic charge-transfer (CT) complex dibenzotetrathiafulvalene - 7,7,8,8-tetracyanoquinodimethane (DBTTF-TCNQ) is found to crystallize in two polymorphs when grown by physical vapor transport: the known α-polymorph and a new structure, the β-polymorph. Structural and elemental analysis via selected area electron diffraction (SAED), X-ray photoelectron spectroscopy (XPS), and polarized IR spectroscopy reveal that the complexes have the same stoichiometry with a 1:1 donor:acceptor ratio, but exhibit unique unit cells. The structural variations result in significant differences in the optoelectronic properties of the crystals, as observed in our experiments and electronic-structure calculations. Raman spectroscopy shows that the α-polymorph has a degree of charge transfer of about 0.5e, while the β-polymorph is nearly neutral. Organic field-effect transistors fabricated on these crystals reveal that in the same device structure both polymorphs show ambipolar charge transport, but the α-polymorph exhibits electron-dominant transport while the β-polymorph is hole-dominant. Together, these measurements imply that the transport features result from differing donor-acceptor overlap and consequential varying in frontier molecular orbital mixing, as suggested theoretically for charge-transfer complexes.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP24648133	Dibenzotetrathiafulvalene		24648-13-3	Price

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