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Merck

900774

Di-PDI

Synonym(s):

2,2′,9,9′-Tetrakis(1-pentylhexyl)-[5,5′-bianthra[2,1,9-def:6,5,10-de f′]diisoquinoline]-1,1′,3,3′,8,8′,10,10′(2H,2′H,9H,9′H)-octone

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About This Item

Empirical Formula (Hill Notation):
C92H106N4O8
CAS Number:
Molecular Weight:
1395.85
MDL number:
UNSPSC Code:
12352101
NACRES:
NA.23

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description

Band gap: 2.06 eV

Quality Level

Assay

≥97%

form

powder

solubility

chloroform: soluble
dichlorobenzene: soluble

Orbital energy

HOMO -5.81 eV 
LUMO -3.75 eV 

SMILES string

N1(C(=O)c2c3c4c(c%12c%13c(c4ccc3C1=O)ccc%14c%13c(cc%12)C(=O)N(C%14=O)C(CCCCC)CCCCC)c(c2)c5c6c7c(c9c%10c6ccc%11c%10c(cc9)C(=O)N(C%11=O)C(CCCCC)CCCCC)ccc8c7c(c5)C(=O)N(C8=O)C(CCCCC)CCCCC)C(CCCCC)CCCCC

InChI key

SROWQESEJZYBTR-UHFFFAOYSA-N

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This Item
319856927082693014
assay

≥97%

assay

99% (CP)

assay

≥95%

assay

-

Quality Level

100

Quality Level

200

Quality Level

100

Quality Level

100

form

powder

form

-

form

powder

form

powder

description

Band gap: 2.06 eV

description

-

description

-

description

-

solubility

chloroform: soluble

solubility

-

solubility

-

solubility

-

orbital energy

HOMO -5.81 eV 

orbital energy

-

orbital energy

-

orbital energy

-

Storage Class Code

11 - Combustible Solids

WGK

WGK 3


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Wei Jiang et al.
Chemical communications (Cambridge, England), 50(8), 1024-1026 (2013-12-07)
A series of bay-linked perylene bisimides as non-fullerene acceptors for organic solar cells are designed. The best power conversion efficiency up to 3.63% based on s-diPBI (1b) is demonstrated by fine-tuning optoelectronic properties resulting from different degrees of twisting and
A perylene bisimide derivative with a LUMO level of -4.56 eV for non-fullerene solar cells.
Yu Y, et al.
Journal of Material Chemistry C, 4(19), 4134-4137 (2016)
Yue Zang et al.
Advanced materials (Deerfield Beach, Fla.), 26(32), 5708-5714 (2014-06-20)
High-performance non-fullerene OSCs with PCEs of up to ca. 6.0% are demonstrated based on PBDTT-F-TT polymer and a molecular di-PBI acceptor through comprehensive molecular, interfacial, and device engineering. Impressive PCEs can also be retained in devices with relatively thick BHJ

Articles

Professor Chen (Nankai University, China) and his team explain the strategies behind their recent record-breaking organic solar cells, reaching a power conversion efficiency of 17.3%.

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