Isomechanical Groups in Molecular Crystals and Role of Aromatic InteractionsCitation formats

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Isomechanical Groups in Molecular Crystals and Role of Aromatic Interactions. / Gabriele, Benjamin P. A.; Williams, Craig J.; Lauer, Matthias Eckhard; Derby, Brian; Cruz-cabeza, Aurora J.

In: Crystal Growth & Design, 02.10.2020.

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@article{79a8eb49db6a46dbb4b26e0250c94049,
title = "Isomechanical Groups in Molecular Crystals and Role of Aromatic Interactions",
abstract = "We have measured mechanical properties in molecular crystals of a series of para-substituted benzoic acids using nanoindentation. Two linear correlations were found for these materials: first between the Young{\textquoteright}s modulus and the melting point per unit of volume, and second between the hardness and the crystal cohesive energy density. These correlations, however, were found to only hold within isomechanical groups. These are groups of materials with similar interaction strengths and dimensionalities. A close analysis of the intermolecular interactions present in these crystals revealed that structures with aromatic rings interacting through t-type interactions may achieve higher interaction dimensionalities and thus result in harder crystals than those with rings interacting through aromatic stacking. In these systems, thus, the dimensionality of the aromatic interactions in the crystals appears to play the major role in their mechanical behavior.",
author = "Gabriele, {Benjamin P. A.} and Williams, {Craig J.} and Lauer, {Matthias Eckhard} and Brian Derby and Cruz-cabeza, {Aurora J.}",
year = "2020",
month = oct,
day = "2",
doi = "10.1021/acs.cgd.0c01188",
language = "English",
journal = "Crystal Growth & Design",
issn = "1528-7483",
publisher = "American Chemical Society",

}

RIS

TY - JOUR

T1 - Isomechanical Groups in Molecular Crystals and Role of Aromatic Interactions

AU - Gabriele, Benjamin P. A.

AU - Williams, Craig J.

AU - Lauer, Matthias Eckhard

AU - Derby, Brian

AU - Cruz-cabeza, Aurora J.

PY - 2020/10/2

Y1 - 2020/10/2

N2 - We have measured mechanical properties in molecular crystals of a series of para-substituted benzoic acids using nanoindentation. Two linear correlations were found for these materials: first between the Young’s modulus and the melting point per unit of volume, and second between the hardness and the crystal cohesive energy density. These correlations, however, were found to only hold within isomechanical groups. These are groups of materials with similar interaction strengths and dimensionalities. A close analysis of the intermolecular interactions present in these crystals revealed that structures with aromatic rings interacting through t-type interactions may achieve higher interaction dimensionalities and thus result in harder crystals than those with rings interacting through aromatic stacking. In these systems, thus, the dimensionality of the aromatic interactions in the crystals appears to play the major role in their mechanical behavior.

AB - We have measured mechanical properties in molecular crystals of a series of para-substituted benzoic acids using nanoindentation. Two linear correlations were found for these materials: first between the Young’s modulus and the melting point per unit of volume, and second between the hardness and the crystal cohesive energy density. These correlations, however, were found to only hold within isomechanical groups. These are groups of materials with similar interaction strengths and dimensionalities. A close analysis of the intermolecular interactions present in these crystals revealed that structures with aromatic rings interacting through t-type interactions may achieve higher interaction dimensionalities and thus result in harder crystals than those with rings interacting through aromatic stacking. In these systems, thus, the dimensionality of the aromatic interactions in the crystals appears to play the major role in their mechanical behavior.

U2 - 10.1021/acs.cgd.0c01188

DO - 10.1021/acs.cgd.0c01188

M3 - Article

JO - Crystal Growth & Design

JF - Crystal Growth & Design

SN - 1528-7483

ER -