Growth, crystal structure, Hirshfeld surface, dielectric and mechanical properties of a new organic single crystal: 'Bis glycine' squarate

Tyagi Nidhi; Sinha Nidhi; Yadav Harsh; Kumar Binay

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Growth, crystal structure, Hirshfeld surface, dielectric and mechanical properties of a new organic single crystal: 'Bis glycine' squarate

机译：一种新型有机单晶的生长，晶体结构，Hirshfeld表面，介电和机械性能：“双甘氨酸”方晶

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A novel transparent organic crystal 'Bis glycine' squarate has been grown by a slow evaporation method. Single crystal XRD confirms the monoclinic lattice with space group C2/c in BGSQ crystal with a refinement value (R) of 0.06. The molecular electron charge density distribution of the BGSQ compound is described. The growth rate of the BGSQ crystal is estimated by morphological study. The Hirshfeld surface gives information about intermolecular interactions within the crystal structure and the fingerprint plot shows the nature and type of intermolecular close contact experienced by the molecules in a crystal. The FTIR spectrum confirms the various functional groups present in the grown crystal. Thermal stability and melting point (182.20 degrees C) were studied with TGA-DTA. The low value of the dielectric constant of BGSQ suggests that the crystal can be used in the microelectronics industry. In UV spectra, a lower cutoff value at 280 nm and a wide band gap of 4.25 eV for the BGSQ crystal are observed. Meyer's index number (1.817) in hardness studies confirmed the soft nature of the crystals. Voids have been used to describe the mechanical strength of crystalline materials.

机译：通过缓慢蒸发法已经生长出新颖的透明有机晶体“双甘氨酸”方酸。单晶XRD证实BGSQ晶体中具有C2 / c空间群的单斜晶格，精制值（R）为0.06。描述了BGSQ化合物的分子电子电荷密度分布。 BGSQ晶体的生长速率通过形态研究估算。 Hirshfeld表面提供有关晶体结构内分子间相互作用的信息，指纹图谱显示晶体中分子经历的分子间紧密接触的性质和类型。 FTIR光谱证实了生长的晶体中存在的各种官能团。用TGA-DTA研究了热稳定性和熔点（182.20℃）。 BGSQ的介电常数很低，表明该晶体可用于微电子工业。在紫外光谱中，观察到BGSQ晶体在280 nm处的截止值较低，宽带隙为4.25 eV。硬度研究中的迈耶指数（1.817）证实了晶体的柔软性质。空隙已被用来描述晶体材料的机械强度。

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《RSC Advances》 |2016年第29期|共12页
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Tyagi Nidhi; Sinha Nidhi; Yadav Harsh; Kumar Binay;
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1. Growth, crystal structure, Hirshfeld surface, dielectric and mechanical properties of a new organic single crystal: 'Bis glycine' squarate [J] . Tyagi Nidhi, Sinha Nidhi, Yadav Harsh, RSC Advances . 2016,第29期

机译：一种新型有机单晶的生长，晶体结构，Hirshfeld表面，介电和机械性能：“双甘氨酸”方晶
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Growth, crystal structure, Hirshfeld surface, dielectric and mechanical properties of a new organic single crystal: 'Bis glycine' squarate

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