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About This Item
经验公式（希尔记法）:
C94H78Cl4N4O2S4
CAS Number:
分子量:
1565.72
MDL编号:
UNSPSC代码:
12352101
NACRES:
NA.23
描述
Band gap: 1.48 eV
方案
98%
表单
powder
轨道能量
HOMO -5.68 eV
LUMO -4.20 eV
SMILES字符串
[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
一般描述
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.
应用
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.
储存分类代码
11 - Combustible Solids
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
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