ICCAS OpenIR
Stable Cross-Conjugated Tetrathiophene Diradical
Zhang, Cheng; Medina Rivero, Samara; Liu, Wuyue; Casanova, David; Zhu, Xiaozhang; Casado, Juan
2019-08-12
Source PublicationANGEWANDTE CHEMIE-INTERNATIONAL EDITION
ISSN1433-7851
Volume58Issue:33Pages:11291-11295
AbstractA tetracyano quinoidal tetrathiophene, having a central bi(thieno[3,4-c]pyrrole-4,6-dione) acceptor, has been studied. The recovered aromaticity of the thiophenes produces a diradical species with cross-conjugation between the inter-dicyano and inter-dione acceptor paths. A diradical character of y(0)=0.61 and a singlet-triplet gap of -2.76 kcal mol(-1) were determined. Competition between the two cross-conjugated paths enhances the disjointed character of the SOMOs and results in the confinement of the diradical to the molecular center, enabling a thermodynamic diradical stabilization featuring a half-life of 262 hours. Cross-conjugation effects have been also addressed in the anionic species (up to a radical trianion).
DOI10.1002/anie.201904153
Indexed BySCI
Language英语
WOS IDWOS:000478735900015
EI Accession Number1521-3773
Citation statistics
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/82666
Collection中国科学院化学研究所
AffiliationChinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Cheng,Medina Rivero, Samara,Liu, Wuyue,et al. Stable Cross-Conjugated Tetrathiophene Diradical[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2019,58(33):11291-11295.
APA Zhang, Cheng,Medina Rivero, Samara,Liu, Wuyue,Casanova, David,Zhu, Xiaozhang,&Casado, Juan.(2019).Stable Cross-Conjugated Tetrathiophene Diradical.ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,58(33),11291-11295.
MLA Zhang, Cheng,et al."Stable Cross-Conjugated Tetrathiophene Diradical".ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 58.33(2019):11291-11295.
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