Molecular Origin of Mechanical Sensitivity of the Reaction Rate in Anthracene Cyclophane Isomerization Reveals Structural Motifs for Rational Design of Mechanophores

The observed pressure sensitivity of the isomerization reaction rate of bis-anthracene cyclophane photoisomer has attracted significant attention in the rational design of mechanically sensitive materials. However, the molecular origin of this sensitivity remains unclear. We developed an ab initio m...

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Veröffentlicht in:	Journal of physical chemistry. C 2016-08, Vol.120 (32), p.17898-17908
Hauptverfasser:	Plotnikov, Nikolay V, Martinez, Todd J
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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