首页|Effect of Hyperconjugation on Photovoltaic Performance in Pseduo-2D Perylene Diimide Derivatives

Effect of Hyperconjugation on Photovoltaic Performance in Pseduo-2D Perylene Diimide Derivatives

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The π-π interaction is acknowledged as the predominant factor to determine the molecular packing in organic photovoltaic materials,while other non-covalent intermolecular interactions especially the σ-π hyperconjugation are often ignored.Herein,a perylene diimide(PDI)derivative named FIDT-PDI is designed and synthesized to shed light into the effect of hyperconjugation on the molecular packing and further the photovoltaic performance.Dynamic NMR and 2D NOE NMR demonstrate the formation of intermolecular σ-πhyperconjugation between the C—H bond of the PDI moiety in one molecule and the phenyl sidechain in another molecule of FIDT-PDI.Benefiting from the σ-π hyperconjugation,FIDT-PDI with twisted backbone reversely exhibits more ordered packing and stronger crystallinity compared with another PDI derivative FIDTT-PDI which has better planarity,consequently achieving superior PCE and higher carrier mobility.This contribution is the first paradigm to unravel the structure-property relationship between σ-π hyper-conjugation of conjugated materials and corresponding photovoltaic performance.

HyperconjugationWeak intermolecular interactionsConformationOrganic solar cellsNonfullerene acceptorPerylene diimide

Zhilong He、Yuwen Hong、Guangyu Li、Tong Shan、Yi Zhang、Hongliang Zhong

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School of Chemistry and Chemical Engineering,Shanghai Key Lab of Electrical Insulation and Thermal Aging,Shanghai Jiao Tong University,Shanghai 200230,China

Shanghai Institute of Organic Chemistry,Chinese Academy of Sciences,Shanghai 200032,China

Shenzhen Research Institute,Shanghai Jiao Tong University,Shenzhen,Guangdong 518057,China

上海市自然科学基金Shenzhen Science and Technology Innovation CommissionOceanic Interdisciplinary Program of Shanghai Jiao Tong University

21ZR14351002021SZVUP075SL2022MS015

2024

10.1002/cjoc.202300616

中国化学(英文版)
中国化学会 上海有机化学研究所

中国化学(英文版)

CSTPCD
影响因子：0.848
ISSN：1001-604X
年,卷(期)：2024.42(7)
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