Efficient charge transport via limited π-π interactions between naphthyl carbon atoms in a metal-organic framework
Yong Yan1,2, Zhen-Yu Li3, Harald Krautscheid2
1School of Chemistry and Chemical Engineering, Liaocheng University, Liaocheng 252059, China. zhangningning@lcu.edu.cn.
Abstract:
A novel metal-organic framework based on naphthalenediimide derivatives was synthesized, featuring ONDI2- ligands arranged in a slipped stacking pattern that forms H-aggregates with limited π-π interactions between two pairs of adjacent naphthyl carbon atoms. The compound demonstrates typical semiconductive behavior, with a conductivity of 3.1 × 10-7 S cm-1 at 30 °C. Density functional theory calculations suggest that the two pairs of naphthyl carbon atoms serve as the fundamental units for fabricating efficient charge transport paths, significantly contributing to the observed conductivity.
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