Peculiar orientational disorder in 4-bromo-4′-nitrobiphenyl (BNBP) and 4-bromo-4′-cyanobiphenyl (BCNBP) leading to bipolar crystals

Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg

doi:10.1107/s2052252516006709

Cited by 4 publications

(3 citation statements)

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“…Moreover, such calculations revealed that the addition of a similar but symmetrical molecule to the feeding source can either promote or revert the polarity of the reversal. This was recently elaborated for 4-iodo-4 0 -nitro-biphenyl by addition of 4,4 0 -dinitro-biphenyl and 4,4 0 -diiodobiphenyl, as well as for two other compounds (Burgener et al, 2016). These results raise the idea of adding a promoter of reversal, such as 1,3-dinitro-biphenyl.…”

Section: Discussion and Summarymentioning

confidence: 89%

“…The first examples demonstrating reversal were acceptordonor-disubstituted biphenyls (Burgener et al, 2013(Burgener et al, , 2016Hulliger et al, 2014Hulliger et al, , 2017. The discovery of the reversal transition was possible because of an analysis taking into account (i) morphology, (ii) anomalous X-ray scattering, and (iii) scanning pyroelectric microscopy (SPEM) (Wü bbenhorst et al, 2000) and/or (iv) phase-sensitive second harmonic microscopy (Rechsteiner et al, 2000) and/or (v) scanning piezoelectric force microscopy (Batagiannis et al, 2010).…”

Section: Introductionmentioning

confidence: 99%

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Vapour growth, morphology, absolute structure and pyroelectric coefficient ofmeta-nitroaniline single crystals

et al. 2019

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The growth speed of (hkl) faces in the vapour phase, the absolute structure obtained by X‐ray crystallography, and the value and the sign of the pyroelectric coefficient of meta‐nitroaniline (mNA) were analysed in detail. The in situ observation of morphologically well developed faces of several mNA crystals growing in evacuated ampoules reveals no pronounced growth speed anisotropy for polar faces defining the unique axis 2 of the mm2 group. Scanning pyroelectric microscopy confirms mono‐domain mNA crystals. X‐ray measurements in the space group Pca21 show that the molecular planes coincide with the {} and {} faces, and the nitro groups cover the {201} face in the opposite direction to the crystal tip, characterizing the polar habitus studied here. At room temperature, the sign of the pyroelectric coefficient is positive for a measured effective value of 6.3 µC m−2 K−1, in good agreement with values reported by other authors. From previous elastic and piezoelectric published data, the secondary pyroelectric effect was calculated to be positive and far greater than the effective one, yielding a negative value for the primary pyroelectric coefficient.

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Section: Discussion and Summarymentioning

confidence: 89%

Section: Introductionmentioning

confidence: 99%

Vapour growth, morphology, absolute structure and pyroelectric coefficient ofmeta-nitroaniline single crystals

et al. 2019

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“…Meanwhile, other examples ( Fig. 6) have demonstrated such kinds of behavior (Burgener et al, 2016).…”

Section: Topical Reviewsmentioning

confidence: 93%

Stochastic polarity formation in molecular crystals, composite materials and natural tissues

Hulliger

Burgener

Hesterberg

et al. 2017

Int Union Crystallogr J

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This topical review summarizes the theoretical and experimental findings obtained over the last 20 years on the subject of growth-induced polarity formation driven by a Markov chain process. When entering the growing surface of a molecular crystal, an inorganic-organic composite or a natural tissue, the building blocks may undergo 180 orientational disorder. Driven by configurational entropy, faulted orientations can promote the conversion of a growing non-polar seed into an object showing polar domains. Similarly, orientational disorder at the interface may change a polar seed into a two-domain state. Analytical theory and Monte Carlo simulations were used to model polarity formation. Scanning pyroelectric, piezoresponse force and phase-sensitive second-harmonic microscopies are methods for investigating the spatial distribution of polarity. Summarizing results from different types of materials, a general principle is provided for obtaining growth-induced polar domains: a non-zero difference in the probabilities for 180 orientational misalignments of building blocks, together with uni-directional growth, along with Markov chain theory, can produce objects showing polar domains.

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Reversal transition for polar molecular crystals: critical clusters size analysis and Monte Carlo simulations

Hulliger

Hesterberg

2019

J Math Chem

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Peculiar orientational disorder in 4-bromo-4′-nitrobiphenyl (BNBP) and 4-bromo-4′-cyanobiphenyl (BCNBP) leading to bipolar crystals

Abstract: Two dipolar biphenyls show significant 180° orientational disorder resulting in bipolar as-grown crystals. An added symmetrical biphenyl interferes with polarity formation and inverts the initial bipolar state.

Cited by 4 publications

References 12 publications

Vapour growth, morphology, absolute structure and pyroelectric coefficient ofmeta-nitroaniline single crystals

Vapour growth, morphology, absolute structure and pyroelectric coefficient ofmeta-nitroaniline single crystals

Stochastic polarity formation in molecular crystals, composite materials and natural tissues

Reversal transition for polar molecular crystals: critical clusters size analysis and Monte Carlo simulations

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