Mechanistic Investigation of an Elastically Flexible Organic Crystal

Torvid Feiler; Nobuhiro Yasuda; Adam A. L. Michalchuk; Franziska Emmerling; Biswajit Bhattacharya

doi:10.1021/acs.cgd.3c00473

Mechanistic Investigation of an Elastically Flexible Organic Crystal

Torvid Feiler
, Nobuhiro Yasuda
, Adam A. L. Michalchuk^*
, Franziska Emmerling^*
, Biswajit Bhattacharya^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

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Abstract

Mechanical flexibility in molecular crystals is a fascinating behavior with potential for developing advanced technologies. However, the phenomenon of mechanical bending is poorly understood. We explore for the first time the atomistic origin of elastic bending in a single component organic crystal using a combination of μ-focus synchrotron X-ray diffraction and ab initio simulation.

Original language	English
Pages (from-to)	6244-6249
Number of pages	6
Journal	Crystal Growth and Design
Volume	23
Issue number	9
Early online date	3 Aug 2023
DOIs	https://doi.org/10.1021/acs.cgd.3c00473
Publication status	E-pub ahead of print - 3 Aug 2023

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title = "Mechanistic Investigation of an Elastically Flexible Organic Crystal",

abstract = "Mechanical flexibility in molecular crystals is a fascinating behavior with potential for developing advanced technologies. However, the phenomenon of mechanical bending is poorly understood. We explore for the first time the atomistic origin of elastic bending in a single component organic crystal using a combination of μ-focus synchrotron X-ray diffraction and ab initio simulation.",

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AU - Feiler, Torvid

AU - Yasuda, Nobuhiro

AU - Michalchuk, Adam A. L.

AU - Emmerling, Franziska

AU - Bhattacharya, Biswajit

PY - 2023/8/3

Y1 - 2023/8/3

N2 - Mechanical flexibility in molecular crystals is a fascinating behavior with potential for developing advanced technologies. However, the phenomenon of mechanical bending is poorly understood. We explore for the first time the atomistic origin of elastic bending in a single component organic crystal using a combination of μ-focus synchrotron X-ray diffraction and ab initio simulation.

AB - Mechanical flexibility in molecular crystals is a fascinating behavior with potential for developing advanced technologies. However, the phenomenon of mechanical bending is poorly understood. We explore for the first time the atomistic origin of elastic bending in a single component organic crystal using a combination of μ-focus synchrotron X-ray diffraction and ab initio simulation.

U2 - 10.1021/acs.cgd.3c00473

DO - 10.1021/acs.cgd.3c00473

M3 - Article

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VL - 23

SP - 6244

EP - 6249

JO - Crystal Growth and Design

JF - Crystal Growth and Design

IS - 9

ER -

Mechanistic Investigation of an Elastically Flexible Organic Crystal

Abstract

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