ITIC-4Cl, ITIC-DCl, IT-4Cl

CAS Number 2253663-81-7

ITIC-4Cl, ITIC-DCl, IT-4Cl CAS 2253663-81-7

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

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

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

with highly conjugated core

With lower HOMO/LUMO energy level

large dipole moment induced by chloride substituents

Worldwide shipping

Quick and reliable shipping

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)

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

Literature and Reviews

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.
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.
Morphology Control Enables Efficient Ternary Organic Solar Cells, Y. Xie et al., Adv. Mater., 30, 1803045 (2018); DOI: 10.1002/adma.201803045.
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.

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