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Merck
CN

914029

IEICO-4F

≥99%

Synonym(s):

2,2′-((2Z,2′Z)-(((4,4,9,9-tetrakis(4-hexylphenyl)-4,9-dihydro-sindaceno[1,2-b:5,6-b′]dithiophene-2,7-diyl)bis(4-((2-ethylhexyl)oxy)thiophene-5,2-diyl))bis(methanylylidene))bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile

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About This Item

Empirical Formula (Hill Notation):
C114H114F4N4O4S4
CAS Number:
2089044-02-8
Molecular Weight:
1808.40
MDL number:
MFCD33021746
UNSPSC Code:
12352101
NACRES:
NA.23

Key Documents

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Product Name

IEICO-4F, ≥99%

InChI key

ZDIRJORRKGPNQG-ZTVJXLAYSA-N

InChI

1S/C114H114F4N4O4S4/c1-9-17-23-27-33-73-37-45-79(46-38-73)113(80-47-39-74(40-48-80)34-28-24-18-10-2)93-57-90-94(58-89(93)109-95(113)63-103(129-109)111-101(125-69-71(15-7)31-21-13-5)55-83(127-111)53-91-105(77(65-119)66-120)85-59-97(115)99(117)61-87(85)107(

SMILES string

Fc1cc2c(cc1F)C(=C(C#N)C#N)\C(=C/c3[s]c(c(c3)OCC(CCCC)CC)c4[s]c5c(c4)C(c8c5cc9c(c8)c%10[s]c(cc%10C9(c%15ccc(cc%15)CCCCCC)c%14ccc(cc%14)CCCCCC)c%11[s]c(cc%11OCC(CCCC)CC)\C=C%12/C(=O)c%13c(cc(c(c%13)F)F)C/%12=C(C#N)C#N)(c7ccc(cc7)CCCCCC)c6ccc(cc6)CCCCCC)\C2=

description

Band gap: Eg=1.29 eV

assay

≥99%

form

solid

color

dark

orbital energy

HOMO -5.49 eV 
LUMO -4.19 eV 

Quality Level

100

Related Categories

Application

IEICO-4F is a low band-gap, low energy loss non-fullerene acceptor. It can be used in applications such as high performance organic solar cells and panchromatic organic photodetectors.
IEICO-4F is an ultra-narrow bandgap non-fullerene acceptor (NFA). It is a derivative of IEICO with an absorption edge reaching 1000 nm. PCEs of over 10% in single layer devices were reached. A ternary blend of J52:PBDTTT-EFT donor polymers with IEICO-4F reached a PCE of >11%, with a very high photocurrent of over 25 mA cm-2.

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
MKCN1735

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Huifeng Yao et al.
Angewandte Chemie (International ed. in English), 56(11), 3045-3049 (2017-02-02)
The design of narrow band gap (NBG) donors or acceptors and their application in organic solar cells (OSCs) are of great importance in the conversion of solar photons to electrons. Limited by the inevitable energy loss from the optical band

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