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Merck
CN
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安全信息

933678

Sigma-Aldrich

Y6(BTPTT-4F)

别名:

Y6, 2,2′-((2Z,2′Z)-((12,13-Bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno-[2",3":4′,5′]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno-[2′,3′:4,5]thieno[3,2-b]indole-2,10-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

经验公式（希尔记法）:
C82H86F4N8O2S5
CAS号:
2304444-49-1
分子量:
1451.93
MDL编号:
MFCD33029273
UNSPSC代码:
32111701
NACRES:
NA.21

方案

≥99% (H-NMR)

质量水平

100

颜色

black

溶解性

chloroform: soluble

λmax

731 nm in chloroform (UV)

轨道能量

HOMO - 5.65 eV 
LUMO - 4.1 eV 

SMILES字符串

Fc1cc2c(cc1F)C(=C(C#N)C#N)\C(=C\c3[s]c4c([s]c5c4[n](c6c7[n](c8c([s]c%10c8[s]c(c%10CCCCCCCCCCC)\C=C%11/C(=O)c%12c(cc(c(c%12)F)F)C/%11=C(C#N)C#N)c7c9n[s]nc9c65)CC(CCCC)CC)CC(CCCC)CC)c3CCCCCCCCCCC)\C2=O

InChI

1S/C82H86F4N8O2S5/c1-7-13-17-19-21-23-25-27-29-33-51-63(39-57-65(49(41-87)42-88)53-35-59(83)61(85)37-55(53)75(57)95)97-81-73-79(99-77(51)81)67-69-70(92-101-91-69)68-72(71(67)93(73)45-47(11-5)31-15-9-3)94(46-48(12-6)32-16-10-4)74-80(68)100-78-52(34-30-28-2

InChI key

XJRVXAOYOOOQLU-LAGONYLDSA-N

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相关类别

应用

Y6 (BTP-4F) is a popular non-fullerene acceptor (NFA) molecule for use in Organic Photovoltaic (OPV) given its contribution to device power conversion efficiencies (PCEs). Also known BTP-4F, Y6 is a highly conjugated electron deficient organic semiconductor with an A-DAD-A structure. The absorption spectrum of Y6 molecule has a maximum at around 810 nm and extends to 1100 nm. This means that Y6 and its polymer blends have the potential to absorb light across the entire visible and near infra-red spectrum.

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

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Triplet-Charge Annihilation in a Small Molecule Donor: Acceptor Blend as a Major Loss Mechanism in Organic Photovoltaics
J. Marin-Beloqui et al.
Advanced Energy Materials, 11, 2100539-2100539 (2021)
From Y6 to BTPT-4F: a theoretical insight into the influence of the individual change of fused-ring skeleton length or side alkyl chains on molecular arrangements and electron mobility.
Zhang, Jie, et al.
New. J. Chem., 45, 12247?12259-12247?12259 (2021)
You Chen et al.
Chemical communications (Cambridge, England), 55(47), 6708-6710 (2019-05-22)
For photovoltaic polymers with a D-π-A backbone, there are a great deal of D and A units, but the choice of π bridge is relatively limited and thiophene (T) is still the most effective one. Here, we utilize two D-π-A
Over 17% efficiency ternary organic solar cells enabled by two non-fullerene acceptors working in an alloy-like model.
Zhan, Lingling et al.
Energy & Environmental Science, 13, 635-645 (2020)
Edgar Gutierrez-Fernandez et al.
Advanced science (Weinheim, Baden-Wurttemberg, Germany), 9(1), e2104977-e2104977 (2021-12-03)
There is a growing demand to attain organic materials with high electron mobility, μe , as current reliable reported values are significantly lower than those exhibited by their hole mobility counterparts. Here, it is shown that a well-known nonfullerene-acceptor commonly

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