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Understanding Structural Variations in Elastic Organic Crystals by in Situ High-Pressure Fourier Transform Infrared Spectroscopy and Nanoindentation Study
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2019-02-25 00:00:00 , DOI: 10.1021/acs.cgd.8b01684
Somnath Ganguly 1 , Ragaverthini Chinnasamy , Shyamal Parikh 2 , Mangalampalli S. R. N. Kiran , Upadrasta Ramamurty 3 , Himal Bhatt 4 , M. N. Deo 4 , Soumyajit Ghosh , Pallavi Ghalsasi 2
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2019-02-25 00:00:00 , DOI: 10.1021/acs.cgd.8b01684
Somnath Ganguly 1 , Ragaverthini Chinnasamy , Shyamal Parikh 2 , Mangalampalli S. R. N. Kiran , Upadrasta Ramamurty 3 , Himal Bhatt 4 , M. N. Deo 4 , Soumyajit Ghosh , Pallavi Ghalsasi 2
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Organic crystals possessing elasticity are gaining wide attention due to their potential applications in technology. From a design perspective, it is of utmost importance to understand the mechanical behavior of these crystals and their ability to handle stress. In this paper, we present an in situ high-pressure Fourier transform infrared spectroscopy study on 2,5-dichloro-N-benzylidene-4-chloroaniline (DPA) and 2,6 dichloro-N-benzylidene-4-fluoro-3-nitro aniline (DFA) crystals at pressures ranging from ambient pressure to 21.5 and 14.5 GPa respectively along with nanoindentation studies, at room temperature. The infrared stretching wavenumber of the aromatic and aliphatic C–H, H–C═N, and C–Cl bands on compression showed blueshifts and increased widths, which reflect structure perturbation caused by changes in intermolecular interactions in the crystals. It was noted that both crystals DPA and DFA behave in a different fashion under high-pressure prompting the derivation of different models based on structural changes in the lattice. Further, nanoindentation studies corroborated pressure-induced molecular movement in both crystals.
中文翻译：
通过原位高压傅里叶变换红外光谱和纳米压痕研究了解弹性有机晶体的结构变化
具有弹性的有机晶体由于其在技术中的潜在应用而受到广泛关注。从设计的角度来看，了解这些晶体的机械性能及其承受应力的能力至关重要。在本文中，我们提供了对2,5-二氯-N-亚苄基-4-氯苯胺（DPA）和2,6-二氯-N的原位高压傅里叶变换红外光谱研究-亚苄基-4-氟-3-硝基苯胺（DFA）晶体在室温下分别在环境压力至21.5和14.5 GPa的压力范围内进行纳米压痕研究。压缩后的芳香族和脂肪族C–H，H–C═N和C–Cl谱带的红外拉伸波数显示蓝移和增加的宽度，这反映了晶体中分子间相互作用的变化引起的结构扰动。注意到，在高压下，晶体DPA和DFA都以不同的方式表现，这促使根据晶格中的结构变化推导了不同的模型。此外，纳米压痕研究证实了两种晶体中压力诱导的分子运动。
更新日期：2019-02-25
中文翻译：
通过原位高压傅里叶变换红外光谱和纳米压痕研究了解弹性有机晶体的结构变化
具有弹性的有机晶体由于其在技术中的潜在应用而受到广泛关注。从设计的角度来看，了解这些晶体的机械性能及其承受应力的能力至关重要。在本文中，我们提供了对2,5-二氯-N-亚苄基-4-氯苯胺（DPA）和2,6-二氯-N的原位高压傅里叶变换红外光谱研究-亚苄基-4-氟-3-硝基苯胺（DFA）晶体在室温下分别在环境压力至21.5和14.5 GPa的压力范围内进行纳米压痕研究。压缩后的芳香族和脂肪族C–H，H–C═N和C–Cl谱带的红外拉伸波数显示蓝移和增加的宽度，这反映了晶体中分子间相互作用的变化引起的结构扰动。注意到，在高压下，晶体DPA和DFA都以不同的方式表现，这促使根据晶格中的结构变化推导了不同的模型。此外，纳米压痕研究证实了两种晶体中压力诱导的分子运动。
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