Effect of High Pressure on the Typical Supramolecular Structure of Guanidinium Methanesulfonate

Li, Shourui; Li, Qian; Zhou, Jing; Wang, Run; Jiang, Zhangmei; Wang, Kai; Xu, Duanfu; Liu, Jing; Liu, Bingbing; Zou, Guangtian; Bo, Zhishan

doi:10.1021/jp212349h

Cited by 33 publications

(39 citation statements)

References 48 publications

(56 reference statements)

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“…As displayed in Figure 6(b), the lattice modes exhibit high rates of blue shifts owing to reduction in intermolecular distances. 46,47 The υ 1 mode weakens progressively above 6.8 GPa, shown in the inset of Figure 6(a). Overall, the four modes in phase II can still be observed even at the highest pressure of 14.3 GPa in this experiment.…”

Section: Resultsmentioning

confidence: 93%

Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine

Xiong

et al. 2014

The Journal of Chemical Physics

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We have examined the high-pressure behaviors of six-membered heterocyclic compounds of pyrimidine and s-triazine up to 26 and 26.5 GPa, respectively. Pyrimidine crystallizes in Pna2₁ symmetry (phase I) with the freezing pressure of 0.3 GPa, and transforms to another phase (phase II) at 1.1 GPa. Raman spectra of several compression-decompression cycles demonstrate there is a critical pressure of 15.5 GPa for pyrimidine. Pyrimidine returns back to its original liquid state as long as the highest pressure is below 15.1 GPa. Rupture of the aromatic ring is observed once pressure exceeds 15.5 GPa during a compression-decompression cycle, evidenced by the amorphous characteristics of the recovered sample. As for s-triazine, the phase transition from R-3c to C2/c is well reproduced at 0.6 GPa, in comparison with previous Raman data. Detailed Raman scattering experiments corroborate the critical pressure for s-triazine may locate at 14.5 GPa. That is, the compression is reversible below 14.3 GPa, whereas chemical reaction with ring opening is detected when the final pressure is above 14.5 GPa. During compression, the complete amorphization pressure for pyrimidine and s-triazine is identified as 22.4 and 15.2 GPa, respectively, based on disappearance of Raman lattice modes. Synchrotron X-ray diffraction patterns and Fourier transform infrared spectra of recovered samples indicate the products in two cases comprise of extended nitrogen-rich amorphous hydrogenated carbon (a-C:H:N).

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Section: Resultsmentioning

confidence: 93%

Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine

Xiong

et al. 2014

The Journal of Chemical Physics

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“…Hydrostatic pressure, as an alternative of chemical pressure that can efficiently tune the crystal structure and electronic configuration, [34][35][36][37][38][39][40] is a significant technique to modify the physical/chemical properties in current material science. It can not only provide insight into the structure-property relationship, but also find practical applications if the pressure is not too high for sizeable material synthesis (generally <10 GPa).…”

Section: Introductionmentioning

confidence: 99%

Pressure-Induced Phase Transformation, Reversible Amorphization, and Anomalous Visible Light Response in Organolead Bromide Perovskite

et al. 2015

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Hydrostatic pressure, as an alternative of chemical pressure to tune the crystal structure and physical properties, is a significant technique for novel function material design and fundamental research. In this article, we report the phase stability and visible light response of the organolead bromide perovskite, CH3NH3PbBr3 (MAPbBr3), under hydrostatic pressure up to 34 GPa at room temperature. Two phase transformations below 2 GPa (from Pm3̅m to Im3̅, then to Pnma) and a reversible amorphization starting from about 2 GPa were observed, which could be attributed to the tilting of PbBr6 octahedra and destroying of long-range ordering of MA cations, respectively. The visible light response of MAPbBr3 to pressure was studied by in situ photoluminescence, electric resistance, photocurrent measurements and first-principle simulations. The anomalous band gap evolution during compression with red-shift followed by blue-shift is explained by the competition between compression effect and pressure-induced amorphization. Along with the amorphization process accomplished around 25 GPa, the resistance increased by 5 orders of magnitude while the system still maintains its semiconductor characteristics and considerable response to the visible light irradiation. Our results not only show that hydrostatic pressure may provide an applicable tool for the organohalide perovskites based photovoltaic device functioning as switcher or controller, but also shed light on the exploration of more amorphous organometal composites as potential light absorber.

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“…Therefore, many phenomena hidden under ambient conditions can be observed and clarified at high pressures. [18][19][20][21] High-pressure research can get new insight into the nature of noncovalent interactions and is of fundamental importance in understanding the structure-property relationships of materials. Under high pressure, the influence a) Electronic mail: zoubo@jlu.edu.cn.…”

Section: Introductionmentioning

confidence: 99%

Compression studies of face-to-face π-stacking interaction in sodium squarate salts: Na2C4O4 and Na2C4O4•3H2O

Wang

et al. 2012

The Journal of Chemical Physics

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High-pressure Raman scattering and synchrotron X-ray diffraction measurements of sodium squarate (Na(2)C(4)O(4), SS) are performed in a diamond anvil cell. SS possesses a rare, but typical structure, which can show the effect of face-to-face π-stacking without interference of other interactions. At ~11 GPa, it undergoes a phase transition, identified as a symmetry transformation from P2(1)/c to P2(1). From high-pressure Raman patterns and the calculated model of SS, it can be proved that the phase transition results from the distorted squarate rings. We infer it is the enhancement of π-stacking that dominates the distortion. For comparison, high-pressure Raman spectra of sodium squarate trihydrate (Na(2)C(4)O(4)●3H(2)O, SST) are also investigated. The structure of SST is determined by both face-to-face π-stacking and hydrogen bonding. SST can be regarded as a deformation of SS. A phase transition, with the similar mechanism as SS, is observed at ~10.3 GPa. Our results can be well supported by the previous high-pressure studies of ammonium squarate ((NH(4))(2)C(4)O(4), AS), and vice versa. High-pressure behaviors of the noncovalent interactions in SS, SST, and AS are compared to show the impacts of hydrogen bonding and the role of electrostatic interaction in releasing process.

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Effect of High Pressure on the Typical Supramolecular Structure of Guanidinium Methanesulfonate

Cited by 33 publications

References 48 publications

Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine

Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine

Pressure-Induced Phase Transformation, Reversible Amorphization, and Anomalous Visible Light Response in Organolead Bromide Perovskite

Compression studies of face-to-face π-stacking interaction in sodium squarate salts: Na2C4O4 and Na2C4O4•3H2O

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