Mapping the polymorphic transformation gateway vibration in crystalline 1,2,4,5-tetrabromobenzene

Zaczek, Adam J.; Catalano, Luca; Naumov, Panče; Korter, Timothy M.

doi:10.1039/c8sc03897j

Cited by 31 publications

(31 citation statements)

References 39 publications

(46 reference statements)

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“…Similar observations of the role of the low wavenumber band in the gateway vibration of polymorphic transformation were recently reported for 1,2,4,5-tetrabromobenzene crystals with the thermosalient effect. 55…”

Section: Resultsmentioning

confidence: 99%

Structural phase transitions in flexible DUT-8(Ni) under high hydrostatic pressure

Крылов

Yushina

Slyusareva

et al. 2022

Phys. Chem. Chem. Phys.

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Section: Resultsmentioning

confidence: 99%

Structural phase transitions in flexible DUT-8(Ni) under high hydrostatic pressure

Крылов

Yushina

Slyusareva

et al. 2022

Phys. Chem. Chem. Phys.

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“…The structural origins of the superelastic transitions were further evaluated by in situ Raman microscopy, which allowed us to identify local changes in structure upon polymorphic transition. As a phase descriptor, we focused on the characteristic frequency shift of the phonon vibration peak at approximately 86 cm −1 ( peak a in Figure c, d)—the frequencies in this region are sensitive to intermolecular interaction and packing changes . The black spheres in Figure c show the temperature‐dependent frequency of this Raman mode (see the black spectra in Figure d), exhibiting characteristic jumps from 85.7 to 83.7 cm −1 and from 83.7 to 81.4 cm −1 for II–I and III–II transitions, respectively.…”

Section: Resultsmentioning

confidence: 99%

Super‐ and Ferroelastic Organic Semiconductors for Ultraflexible Single‐Crystal Electronics

et al. 2020

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Like silicon, single crystals of organic semiconductors are pursued to attain intrinsic charge transport properties. However, they are intolerant to mechanical deformation, impeding their application in flexible electronic devices. Such contradictory properties, namely exceptional molecular ordering and mechanical flexibility, are unified in this work. We found that bis(triisopropylsilylethynyl)pentacene (TIPS‐P) crystals can undergo mechanically induced structural transitions to exhibit superelasticity and ferroelasticity. These properties arise from cooperative and correlated molecular displacements and rotations in response to mechanical stress. By utilizing a bending‐induced ferroelastic transition of TIPS‐P, flexible single‐crystal electronic devices were obtained that can tolerate strains (ϵ) of more than 13 % while maintaining the charge carrier mobility of unstrained crystals (μ>0.7 μ0). Our work will pave the way for high‐performance ultraflexible single‐crystal organic electronics for sensors, memories, and robotic applications.

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“…The crystals undergo a thermosalient transition slightly above room temperature, between 316 K on heating and 305 K on cooling. [35][36] Although being structurally similar and readily available, however, the chloro analogue of TBB, 1,2,4,5tetrachlorobenzene (TCB; Figure 1A) is much less studied. It is known that it undergoes a reversible phase transition at low temperature, and both phases were characterized by neutron diffraction and lattice dynamics calculations.…”

Section: Introductionmentioning

confidence: 99%

Thermosalience of 1,2,4,5‐Tetrachlorobenzene

Karothu¹,

Naumov²

2021

Israel Journal of Chemistry

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Crystals undergoing a thermosalient phase transition are capable of small and cooperative rearrangement of their structural units that is converted into rapid and readily observable crystal shape transformation, ballistic events, and/or progression in space. This amplification of dynamics from molecular to macroscopic scale is attractive for fast and efficient conversion of heat into mechanical work in devices such as micromechanical actuators. By using microscopic, thermal and structural analysis here we demonstrate the thermosalient effect in single crystals of 1,2,4,5‐tetrachlorobenzene (TCB), an analogue of the well‐known thermosalient tetrabromo compound. It is shown that TCB crystals are reversibly thermosalient when they transition between two solid phases, labeled forms I and II, however contrary to the tetrabromo compound which is thermosalient above room temperature, the effect occurs below room temperature. Comparison of the structures of the two phases shows that, similar to other thermosalient solids, the two phases of TCB feature identical sheet motif of molecules in their structures, and the transition is governed by subtle changes in the orientation of molecules which are held together by π‐π and weak Cl⋅⋅⋅Cl interactions. This structural perturbation generates strain within the crystal and the sudden release of the accumulated strain results in crystal motion.

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Mapping the polymorphic transformation gateway vibration in crystalline 1,2,4,5-tetrabromobenzene

Abstract: A single lattice vibration at 15.5 cm−1 serves as a gateway for the polymorphic conversion of thermosalient 1,2,4,5-tetrabromobenzene crystals.

Cited by 31 publications

References 39 publications

Structural phase transitions in flexible DUT-8(Ni) under high hydrostatic pressure

Structural phase transitions in flexible DUT-8(Ni) under high hydrostatic pressure

Super‐ and Ferroelastic Organic Semiconductors for Ultraflexible Single‐Crystal Electronics

Thermosalience of 1,2,4,5‐Tetrachlorobenzene

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