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1. Introduction
Polymorphism in organic crystals,
namely the existence of different crys-
talline forms for the same substance, is
a phenomenon of considerable funda-
mental and technological relevance.
[1]
The intermolecular interactions and the
mechanisms leading to different crystal
arrangements are matter of intense
studies aimed to achieve the control and
prediction of solid-state structures.
[2]
Polymorphism has acquired great impor-
tance for organic solids of pharmaceu-
tical interest, since the solid-state packing
may affect biological activity or other fea-
tures such as rate of dissolution or shelf
life.
[3]
In conjugated materials, which
are of major importance in nanotech-
nologies, solid-state molecular packing
plays a crucial role in controlling the
Polymorphism in Crystalline Microfibers of Achiral
Octithiophene: The Effect on Charge Transport,
Supramolecular Chirality and Optical Properties
Francesca Di Maria,* Eduardo Fabiano, Denis Gentili, Mariano Biasiucci,
Tommaso Salzillo, Giacomo Bergamini, Massimo Gazzano, Alberto Zanelli,
Aldo Brillante, Massimiliano Cavallini, Fabio Della Sala, Giuseppe Gigli,
and Giovanna Barbarella*
Polymorphic crystalline microfibers from an achiral octithiophene with one
S-hexyl substituent per ring are separately and reproducibly grown with
the same characteristics on various solid surfaces, including the interdigi-
tated electrodes/SiO
2
surface of a bottomcontact field-effect transistor. The
arrangement of the same molecule in two diverse supramolecular structures
leads to markedly different electronic, optical, and charge mobility proper-
ties. The microfibers—straight and yellow emitting or helical and red emit-
ting—exhibit p-type charge transport characteristics, with the yellow ones
showing a charge mobility and on/off current ratio of one and three orders of
magnitude, respectively, greater than the red ones. Both forms show circular
dichroism signals with significant differences from one form to the other.
DFT calculations show that the octithiophene exists in two different quasi-
equienergetic conformations aggregating with diverse orientations of the
substituents. This result suggests that the observed polymorphism is confor-
mational in nature. The self-assembly, driven by sulfur–sulfur non-bonding
interactions, amplifies the small property differences between conformers,
leading to quite different bulk properties.
DOI: 10.1002/adfm.201400534
Dr. F. Di Maria, Dr. M. Gazzano, Dr. A. Zanelli, Dr. G. Barbarella
ISOF, MIST.E-R, Mediteknology
Consiglio Nazionale Ricerche
Via P. Gobetti 101, I-40129, Bologna, Italy
E-mail: francesca.dimaria@isof.cnr.it; giovanna.barbarella@isof.cnr.it
Dr. E. Fabiano, Dr. F. Della Sala
NNL CNR-Istituto Nanoscienze
Via Arnesano, I-73100, Lecce, Italy
Dr. D. Gentili, Dr. M. Cavallini
ISMN, Consiglio Nazionale Ricerche
Via P. Gobetti 101, I-40129, Bologna, Italy
Dr. M. Biasiucci
NNL-CNR Nanoscience Institute
c/o Dpt, Fisica Ed. G. Marconi
Center for Life, NanoScience
La Sapienza University and IIT
Viale Regina Elena 295, I-00161, Roma, Italy
T. Salzillo, Prof. A. Brillante
Dpt of Industrial Chemistry Toso Montanari
University of Bologna
Viale Risorgimento 4, I-40136, Bologna, Italy
Dr. G. Bergamini
Dpt of Chemistry Giacomo Ciamician
University of Bologna
Via Selmi 2, I-40126, Bologna, Italy
Prof. G. Gigli
Dpt Ingegneria Innovazione
Università del Salento
Via Arnesano, I-73100, Lecce, Italy
Adv. Funct. Mater. 2014,
DOI: 10.1002/adfm.201400534