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900799

Sigma-Aldrich

ITIC

别名:

2,2'-[[[6，6，12，12-四（4-己基苯基）-6，12-二氢二硫代[2，3-d：2'，3'-d'] -s-吲哚诺[1， 2-b：5，6-b']二噻吩-2，8-二基]双[亚甲基（3-氧代-1 h-茚-2，1（3 h）-二亚甲基）]]双[丙胺]

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About This Item

经验公式（希尔记法）:
C94H82N4O2S4
CAS号:
1664293-06-4
分子量:
1427.94
MDL號碼:
MFCD31560654
分類程式碼代碼:
12352200
NACRES:
NA.23

描述

Band gap:1.61eV

品質等級

100

化驗

99%

形狀

solid

軌道能量

HOMO -5.5 eV 
LUMO -3.89 eV 

SMILES 字串

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

InChI

1S/C94H82N4O2S4/c1-5-9-13-17-25-59-33-41-65(42-34-59)93(66-43-35-60(36-44-66)26-18-14-10-6-2)79-53-76-80(54-75(79)89-85(93)91-81(103-89)51-69(101-91)49-77-83(63(55-95)56-96)71-29-21-23-31-73(71)87(77)99)94(67-45-37-61(38-46-67)27-19-15-11-7-3,68-47-39-62(

InChI 密鑰

HQOWCDPFDSRYRO-VFZXRLAXSA-N

相关类别

應用

ITIC是有机光伏（OPV）行业中使用的特异性非富勒烯受体（NFA）分子。ITIC 具有优于传统富勒烯基受体的潜在优势，如较高的Voc（开路电压）、改善的稳定性和更广的吸附性质。

儲存類別代碼

11 - Combustible Solids

水污染物質分類（WGK）

WGK 3

閃點（°F）

Not applicable

閃點（°C）

Not applicable

历史批次信息供参考:

分析证书(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.
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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.
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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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