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CAS Number 2253663-81-7

Materials, Non-Fullerene Acceptors

Product Code M2149A1-50mg
Price £210 ex. VAT

ITIC-4Cl for non-fullerene organic or polymer solar cells

Low price, high purity (≥99%), available in quantities from 50 mg to 1 g

Specifications | Pricing and Options | MSDS | Literature and Reviews

ITIC-4Cl (CAS number 2253663-81-7), a high performing ITIC derivative also known as ITIC-DCl or IT-4Cl, is a non-fullerene acceptor material which can be used to replace fullerene acceptors in non-fullerene organic solar cells (NFA-OSCs) or non-fullerene polymer solar cells (NFA-PSCs). Compared to ITIC-4F, it has lower HOMO/LUMO energy levels. This is due to the partial larger dipole moment of the chloro-containing molecules.

Together with IT-2Cl as an acceptor material, a power conversion efficiency (PCE) of over 14% has been achieved using ITIC-4Cl, with PBDB-T-F as a donor polymer material.

High efficient non-flullerene acceptor

High efficient non-flullerene acceptor

with highly conjugated core

With lower HOMO/LUMO energy level

With lower HOMO/LUMO energy level

large dipole moment induced by chloride substituents

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High purity

High purity

>99% High purity

Devices architecture: ITO/PEDOT:PSS (35 nm)/PBDB-T-2F:IT-2Cl(20%):IT-4Cl(80%) (95-100 nm)/PFN-Br/Al (100 nm)

General Information

CAS Number 2253663-81-7
Chemical Formula C94H78Cl4N4O2S4
Purity >99% (1H NMR)
Full Name 3,9-bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-dichloro)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene
Molecular Weight 1565.72 g/mol
HOMO / LUMO HOMO = -5.75 eV, LUMO = -4.09 eV [1]
Synonyms IT-4Cl, ITIC-DCl, ITIC-Cl
Classification / Family NFAs, organic semiconducting materials, low band-gap small molecule, small molecular acceptor, organic photovoltaics, polymer solar cells, NF-PSCs, n-type acceptor

Characterisation (1H NMR)

1H NMR of ITIC-4Cl
1H-NMR spectrum of ITIC-4Cl in CDCl3 (see the full version)

Chemical Structure

ITIC-DCl structure
Chemical structure of ITIC-4Cl, CAS 2253663-81-7

MSDS Documentation



Batch Quantity Price
M2149A1 50 mg £210
M2149A1 100 mg £320
M2149A1 250 mg £640
M2149A1 500 mg £1050
M2149A1 1 g £1900

Literature and Reviews

  1. Over 14% Efficiency in Organic Solar Cells Enabled by Chlorinated Nonfullerene Small-Molecule Acceptors, H. Zhang et al., Adv. Mater., 30, 1800613 (2018); DOI: 10.1002/adma.201800613.
  2. Fluorination vs. chlorination: a case study on high performance organic photovoltaic materials, Y. Zhang et al., Sci. China. Chem., 61 (10), 1328-1337 (2018); doi:10.1007/s11426-018-9260-2.
  3. Morphology Control Enables Efficient Ternary Organic Solar Cells, Y. Xie et al., Adv. Mater., 30, 1803045 (2018); DOI: 10.1002/adma.201803045.
  4. Nonfullerene small-molecule acceptors with perpendicular side-chains for fullerene-free solar cells, F. Shen et al., Mater. Chem. A, 6, 15433 (2018); DOI: 10.1039/c8ta04718a.
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