Isostructural polymorphs: qualitative insights from energy frameworks?
CrystEngComm Pub Date: 2016-10-10 DOI: 10.1039/C6CE01501H
Abstract
Three isostructural polymorphs with two-dimensional and three-dimensional similarities are demonstrated quantitatively from similarity relationship analysis. The similarity dimensions are then visualized and correlated in a novel way via qualitative analysis using ‘energy frameworks’. Two of the three polymorphs with three-dimensional similarities exhibiting identical physical properties have almost equi-energetic crystal structures while the most stable third polymorph exhibits distinct properties. Thereby, structure–property correlations are derived, both quantitatively and qualitatively.
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Journal Name：CrystEngComm
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CAS no.: 89640-58-4
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