Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study

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...

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Main Authors: Ganguly, Somnath, Chinnasamy, Ragaverthini, Parikh, Shyamal, Kiran, Mangalampalli S. R. N., Ramamurty, Upadrasta, Bhatt, Himal, Deo, Mukul Narayan, Ghosh, Soumyajit, Ghalsasi, Pallavi
Other Authors: School of Mechanical and Aerospace Engineering
Format: Article
Language:English
Published: 2021
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Online Access:https://hdl.handle.net/10356/150742
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Institution: Nanyang Technological University
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spelling sg-ntu-dr.10356-1507422021-08-02T03:37:20Z Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study Ganguly, Somnath Chinnasamy, Ragaverthini Parikh, Shyamal Kiran, Mangalampalli S. R. N. Ramamurty, Upadrasta Bhatt, Himal Deo, Mukul Narayan Ghosh, Soumyajit Ghalsasi, Pallavi School of Mechanical and Aerospace Engineering Science::Chemistry Nanoindentation Crystals 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. S.G. thanks the Science and Engineering Research Board, Department of Science and Technology, Government of India, for the Early Career Research Award Grant (No. ECR/2017/000060). M.S.R.N.K. thanks the Science and Engineering Research Board, Department of Science and Technology, Government of India, for an Early Career Research Award (File No. ECR/2016/000827). R.C. thanks SRM Institute of Science and Technology for a Ph.D. fellowship. P.G. would like to acknowledge financial support from DAE-BRNS (2012/37P/15/BRNS/806) and DST-SERB (EMR/2016/003974). We thank Prof. Gautam R. Desiraju from the Indian Institute of Science, Bangalore, for his constant inspiration. 2021-08-02T03:37:20Z 2021-08-02T03:37:20Z 2019 Journal Article Ganguly, S., Chinnasamy, R., Parikh, S., Kiran, M. S. R. N., Ramamurty, U., Bhatt, H., Deo, M. N., Ghosh, S. & Ghalsasi, P. (2019). Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study. Crystal Growth and Design, 19(4), 2114-2122. https://dx.doi.org/10.1021/acs.cgd.8b01684 1528-7483 0000-0002-8686-3055 0000-0002-2287-5532 0000-0002-4589-5608 https://hdl.handle.net/10356/150742 10.1021/acs.cgd.8b01684 2-s2.0-85062846067 4 19 2114 2122 en Crystal Growth and Design © 2019 American Chemical Society. All rights reserved.
institution Nanyang Technological University
building NTU Library
continent Asia
country Singapore
Singapore
content_provider NTU Library
collection DR-NTU
language English
topic Science::Chemistry
Nanoindentation
Crystals
spellingShingle Science::Chemistry
Nanoindentation
Crystals
Ganguly, Somnath
Chinnasamy, Ragaverthini
Parikh, Shyamal
Kiran, Mangalampalli S. R. N.
Ramamurty, Upadrasta
Bhatt, Himal
Deo, Mukul Narayan
Ghosh, Soumyajit
Ghalsasi, Pallavi
Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study
description 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.
author2 School of Mechanical and Aerospace Engineering
author_facet School of Mechanical and Aerospace Engineering
Ganguly, Somnath
Chinnasamy, Ragaverthini
Parikh, Shyamal
Kiran, Mangalampalli S. R. N.
Ramamurty, Upadrasta
Bhatt, Himal
Deo, Mukul Narayan
Ghosh, Soumyajit
Ghalsasi, Pallavi
format Article
author Ganguly, Somnath
Chinnasamy, Ragaverthini
Parikh, Shyamal
Kiran, Mangalampalli S. R. N.
Ramamurty, Upadrasta
Bhatt, Himal
Deo, Mukul Narayan
Ghosh, Soumyajit
Ghalsasi, Pallavi
author_sort Ganguly, Somnath
title Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study
title_short Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study
title_full Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study
title_fullStr Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study
title_full_unstemmed Understanding structural variations in elastic organic crystals by in situ high-pressure Fourier transform infrared spectroscopy and nanoindentation study
title_sort understanding structural variations in elastic organic crystals by in situ high-pressure fourier transform infrared spectroscopy and nanoindentation study
publishDate 2021
url https://hdl.handle.net/10356/150742
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