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900799

Sigma-Aldrich

ITIC

Synonyme(s) :

2,2′-[[6,6,12,12-Tetrakis(4-hexylphenyl)-6,12-dihydrodithieno[2,3-d:2′,3′-d′]-s-indaceno[1,2-b:5,6-b′]dithiophene-2,8-diyl]bis[methylidyne(3-oxo-1H-indene-2,1(3H)-diylidene)]]bis[propanedinitrile]

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About This Item

Formule empirique (notation de Hill):
C94H82N4O2S4
Numéro CAS:
1664293-06-4
Poids moléculaire :
1427.94
Code UNSPSC :
12352200
Nomenclature NACRES :
NA.23

Description

Band gap:1.61eV

Niveau de qualité

100

Pureté

99%

Forme

solid

Énergie orbitale

HOMO -5.5 eV 
LUMO -3.89 eV 

Chaîne SMILES 

O=C1C2=C(C=CC=C2)C(/C1=C/C3=CC(S4)=C(S3)C5=C4C(C=C(C(C6=CC=C(CCCCCC)C=C6)(C7=CC=C(CCCCCC)C=C7)C8=C9SC%10=C8SC(/C=C%11C(C(C=CC=C%12)=C%12C\%11=O)=C(C#N)C#N)=C%10)C9=C%13)=C%13C5(C%14=CC=C(CCCCCC)C=C%14)C%15=CC=C(CCCCCC)C=C%15)=C(C#N)C#N

Catégories apparentées

Application

ITIC is a specific non-fullerene acceptor (NFA) molecule used in Organic Photovoltaics(OPVs). ITIC offers potential advantages over traditional fullerene-based acceptors such as include higher Voc (open-circuit voltage), improved stability and broader absorption properties.

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

Not applicable

Point d'éclair (°C)

Not applicable

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Certificats d'analyse (COA)

Lot/Batch Number
MKCQ5294
MKCP1077
MKCK9277
MKCJ2839
MKCJ8883

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Wenchao Zhao et al.
Advanced materials (Deerfield Beach, Fla.), 28(23), 4734-4739 (2016-04-12)
A nonfullerene-based polymer solar cell (PSC) that significantly outperforms fullerene-based PSCs with respect to the power-conversion efficiency is demonstrated for the first time. An efficiency of >11%, which is among the top values in the PSC field, and excellent thermal
Yuze Lin et al.
Advanced materials (Deerfield Beach, Fla.), 27(7), 1170-1174 (2015-01-13)
A novel non-fullerene electron acceptor (ITIC) that overcomes some of the shortcomings of fullerene acceptors, for example, weak absorption in the visible spectral region and limited energy-level variability, is designed and synthesized. Fullerene-free polymer solar cells (PSCs) based on the
Yuze Lin et al.
Journal of the American Chemical Society, 138(14), 4955-4961 (2016-03-26)
We develop an efficient fused-ring electron acceptor (ITIC-Th) based on indacenodithieno[3,2-b]thiophene core and thienyl side-chains for organic solar cells (OSCs). Relative to its counterpart with phenyl side-chains (ITIC), ITIC-Th shows lower energy levels (ITIC-Th: HOMO = -5.66 eV, LUMO =

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