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Interaction Between the Non-Fullerene Acceptor ITIC and Potassium

Interaction Between the Non-Fullerene Acceptor ITIC and Potassium

Guang-Hua Chen, De-Qu Lin, Ying-Ying Du, Long-Xi Wang, Hai-Yang Li, Jia-Ou Wang, Rui Wu, Hai-Jie Qian, Kurash Ibrahim, Hong-Nian Li

ACS Omega. 2019 May 2;4(5):8087-8093.

PMID: 31459899

Abstract:

Using density functional theory calculations and photoemission measurements, we have studied the interaction between the non-fullerene small-molecule acceptor ITIC and K atoms (a representative of reactive metals). It is found that the acceptor-donor-acceptor-type geometric structure and the electronic structure of ITIC largely decide the interaction process. One ITIC molecule can combine with more than 20 K atoms. For stoichiometries K x≤6ITIC, the K atoms are attracted to the acceptor units of the molecule and donate their 4s electrons to the unoccupied molecular orbitals. K-ITIC organometallic complexes, characterized by the breaking of some S-C bonds in the donor unit of ITIC and the formation of K-S bonds, are formed for stoichiometries K x≥7ITIC. The complexes are still conjugated despite the breaking of some S-C bonds.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP1664293064	ITIC		1664293-06-4	Price

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