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906387

ITIC-Cl

Name: ITIC-Cl
Brand: ALDRICH

Synonym(s):

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, ITIC-2Cl

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About This Item

Empirical Formula (Hill Notation):

C₉₄H₇₈Cl₄N₄O₂S₄

CAS Number:

2253663-81-7

Molecular Weight:

1565.72

MDL number:

MFCD32672255

UNSPSC Code:

12352101

NACRES:

NA.23

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Properties

description

Band gap: 1.48 eV

assay

98%

form

powder

orbital energy

HOMO -5.68 eV , LUMO -4.20 eV

SMILES string

[s]1c2c([s]c(c2)\C=C%14/C(=O)c%15c(cc(c(c%15)Cl)Cl)C/%14=C(C#N)C#N)c3c1c4c(cc7c(c4)C(c%10c%11[s]c(cc%11[s]c%107)\C=C%12\C(=O)c%13c(cc(c(c%13)Cl)Cl)C\%12=C(C#N)C#N)(c9ccc(cc9)CCCCCC)c8ccc(cc8)CCCCCC)C3(c6ccc(cc6)CCCCCC)c5ccc(cc5)CCCCCC

InChI

1S/C94H78Cl4N4O2S4/c1-5-9-13-17-21-55-25-33-61(34-26-55)93(62-35-27-56(28-36-62)22-18-14-10-6-2)75-45-72-76(46-71(75)89-85(93)91-81(107-89)43-65(105-91)41-73-83(59(51-99)52-100)67-47-77(95)79(97)49-69(67)87(73)103)94(63-37-29-57(30-38-63)23-19-15-11-7-3,6

InChI key

CGRWDQBQNINDAH-WJLAHIJSSA-N

Description

General description

ITCI-CI is a low band acceptor-donor-acceptor molecule with indacenodithieno[3,2‐b]thiophene (IT) as a central donor atom and 2‐(3‐oxo‐2,3‐dihydroinden‐1‐ylidene)malononitrile (IC) as an acceptor end group. It is also a non-fullerene electron acceptor with a push-pull structure that induces an intramolecular charge transfer and extends absorption.

Application

ITCI-CI can be mainly used in the fabrication of polymeric solar cells with an efficiency that is less than 11% and excellent thermal stability.

ITIC-Cl is a novel non-fullerene acceptor material designed to use in organic photovoltaic devices.ITIC-Cl is a derivative of the ITIC molecule, which is increasingly used to replace fullerene based derivatives for organic solar cells due to significantly improved performances and stability.Compared to ITIC and its other derivatives such as ITIC-F, ITIC-Cl has a narrower bandgap and lower energy levels, and thus will be more suitable to pair with various p-type polymers.ITIC-Cl is readily soluble in most organic solvents used to fabricate organic electronic devices.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number

MKCJ7531

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Articles

Progress for High Performance Tandem Organic Solar Cells

Professor Chen (Nankai University, China) and his team explain the strategies behind their recent record-breaking organic solar cells, reaching a power conversion efficiency of 17.3%.

An electron acceptor challenging fullerenes for efficient polymer solar cells

Lin Y, et al.

Advanced Materials, 27(7), 1170-1174 (2015)

Highly efficient inverted ternary organic solar cells with polymer fullerene-free acceptor as a third component material

Z. Kan, et al.

Journal of Power Sources, 413, 391-398 (2019)

A tetrachlorinated molecular non-fullerene acceptor for high performance near-IR absorbing organic solar cells

Laventure A and Welch GC

Journal of Material Chemistry C, 6(34), 9060-9064 (2018)

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Global Trade Item Number

SKU	GTIN
906387-100MG	04054839936722