CAS Number 1889344-13-1
ITIC-Th (CAS number 1889344-13-1), also known as IT-Th, is an ITIC derivative and a non-fullerene acceptor. Compared with ITIC, instead of having phenyl side-chains, ITIC-Th has hexylthienyl side chains which promotes intermolecular interaction and, therefore, the electron mobility induced by sulfur–sulfur interaction.
ITIC-Th also shows lower energy levels (HOMO = −5.66 eV, LUMO = −3.93 eV) than ITIC due to the effect of thienyl side-chains. With even deeper energy levels, it can potentially match the energy levels of most of the high-performance narrow, medium, to wide band-gap polymer semiconductor donors.
Chemical Structure
Chemical structure of ITIC-Th, CAS number: 1889344-13-1
General Information
CAS Number
1889344-13-1
Chemical Formula
C86H74N4O2S8
Purity
>99% (1H NMR)
Full Name
3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone))-5,5,11,11-tetrakis(5-hexylthienyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene
Molecular Weight
1452.05 g/mol
HOMO / LUMO
HOMO = -5.66 eV, LUMO = -3.93 eV [1]
Solubility
Chloroform, chlorobenzene, dichlorobenzene
Synonyms
IT-Th
Classification / Family
NFAs, organic semiconducting materials, low band-gap small molecule, small molecular acceptor, organic photovoltaics, polymer solar cells, NF-PSCs, n-type acceptor
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