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901423

ITIC-F

Synonym(s):

9-Bis(2-methylene-((3-(1,1-dicyanomethylene)-6,7-difluoro)-indanone))-5,5,11,11-tetrakis(4-hexylphenyl)-dithieno[2,3-d:2’,3’-d’]-s-indaceno[1,2-b:5,6-b’]dithiophene, IT-4F, ITIC-2F, ITIC-DF3

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About This Item

Empirical Formula (Hill Notation):
C94H78F4N4O2S4
CAS Number:
2097998-59-7
Molecular Weight:
1499.90
MDL number:
MFCD31692237
UNSPSC Code:
12352101
NACRES:
NA.23
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description

Band gap: 1.52 eV

Quality Level

100

assay

97%

form

solid

orbital energy

HOMO -5.66 eV , LUMO -4.14 eV 

SMILES string

Fc1cc2c(cc1F)C(=C(C#N)C#N)\C(=C\c3[s]c4c([s]c5c4C(c8c5cc9c(c8)c%10[s]c%11c([s]c(c%11)\C=C%14/C(=O)c%15c(cc(c(c%15)F)F)C/%14=C(C#N)C#N)c%10C9(c%13ccc(cc%13)CCCCCC)c%12ccc(cc%12)CCCCCC)(c7ccc(cc7)CCCCCC)c6ccc(cc6)CCCCCC)c3)\C2=O

InChI

1S/C94H78F4N4O2S4/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)23-19-15-11-7-3,64

InChI key

JOZQXSUYCMNTCH-ODDCUFEPSA-N

Application

ITIC-F is a non-fullerene acceptor molecule, which can be used in the fabrication of organic solar cells (OSCs) and organic photovoltaics (OPVs).
ITIC-F can be employed as the electron transport layer (ETL) in OFET devices. It can be blended with donor polymers to form the active layer in p-type OFETs. ITIC-F exhibits a broad absorption spectrum that extends into the visible and near-infrared regions. This characteristic allows for effective light absorption across a wide range of wavelengths and contributes to enhanced light-harvesting and power conversion efficiency in OPV devices. ITIC-F is commonly used as a non-fullerene acceptor in OPV devices. It serves as the electron acceptor material alongside a donor polymer in the photoactive layer.
ITIC-F is a derivative of ITIC possessing lower energy levels and a broader absorption spectrum. It is used as an n-type molecule for organic photovoltaics, allowing very high performances of over 13%.

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
MKCX4933
MKCS4667
MKCM1455
MKCF9525

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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%.

Performance limitations in thieno [3, 4-c] pyrrole-4, 6-dione-based polymer: ITIC solar cells
Yang F, et al.
Physical Chemistry Chemical Physics, 19(35), 23990-23998 (2017)
Efficient Non-Fullerene Organic Photovoltaic Modules Incorporating As-Cast and Thickness-Insensitive Photoactive Layers
Zhang T, et al.
Advanced Energy Materials, 8(25), 1801387-1801387 (2018)
Wenchao Zhao et al.
Journal of the American Chemical Society, 139(21), 7148-7151 (2017-05-18)
A new polymer donor (PBDB-T-SF) and a new small molecule acceptor (IT-4F) for fullerene-free organic solar cells (OSCs) were designed and synthesized. The influences of fluorination on the absorption spectra, molecular energy levels, and charge mobilities of the donor and
View All Related Papers

Global Trade Item Number

SKUGTIN
901423-100MG04061835504312