|| 99% (1H NMR)
2047352-86-1 (three isomers)
|HOMO / LUMO
||HOMO = -5.58 eV, LUMO = -3.98 eV 
|Classification / Family
||Non-fullerene acceptors (NFAs), Organic semiconducting materials, Low band-gap small molecule, Small molecular acceptor, Organic photovoltaics, Polymer solar cells, NF-PSCs.
ITIC-M, one of the family members of ITICs, is a non-fullerene, small-molecule acceptor that is used for high-efficiency polymer solar cells. ITICs also have the benefit of strong and broad absorption (from visible to near infrared) with good alignment of energy levels to the low band-gap polymer semiconductors.
Being slightly more electron-rich than ITIC, ITIC-M has a higher energy level with an elevated LUMO level to increase Voc for OPV devices, thus improving the overall PCE. Methyl groups on the phenyl rings also increase the solubility of the structure, and help ITIC-M to have greater miscibility with the polymer donors.
We also have ITIC-DM available as an alternative dimethyl substituted NFA for high efficiency NF-PSCs.
Characterisation (1H NMR)
Literature and Reviews
Energy-Level Modulation of Small-Molecule Electron Acceptors to Achieve over 12% Efficiency in Polymer Solar Cells, S. Li et al, Adv. Mater., 28, 9423–9429 (2016); DOI: 10.1002/adma.201602776.
Side-Chain Isomerization on an n‑type Organic Semiconductor ITIC Acceptor Makes 11.77% High Efficiency Polymer Solar Cells, Y. Yang et al., J. Am. Chem. Soc., 138, 15011−15018 (2016); DOI: 10.1021/jacs.6b09110.
Constructing Desired Vertical Component Distribution Within a PBDB-T:ITIC-M Photoactive Layer via Fine-Tuning the Surface Free Energy of a Titanium Chelate Cathode Buffer Layer, Y. Bai et al., Front Chem., 6: 292 (2018); doi: 10.3389/fchem.2018.00292.
Efficient Organic Solar Cells with Non‐Fullerene Acceptors, S. Li et al., Small, 13, 1701120 (2017); DOI: 10.1002/smll.201701120.