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Sigma-Aldrich

[6,6]-Phenyl C61 butyric acid methyl ester

>99.9%

Synonym(s):

1-[3-(Methoxycarbonyl)propyl]-1-phenyl-[6.6]C61, 3′H-Cyclopropa[1,9] [5,6]fullerene-C60-Ih-3′-butanoic acid 3′-phenyl methyl ester, PCBM, [60]PCBM

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About This Item

Empirical Formula (Hill Notation):
C72H14O2
CAS Number:
160848-22-6
Molecular Weight:
910.88
MDL number:
MFCD07784544
UNSPSC Code:
12352103
PubChem Substance ID:
24885806
NACRES:
NA.23

description

functionalized fullerene

Assay

>99.9%

form

solid

solubility

chlorobenzene: soluble
organic solvents: soluble
toluene: soluble

Orbital energy

HOMO 6.1 eV 
LUMO 3.7 eV 

semiconductor properties

N-type (mobility=0.21 cm2/V·s)

SMILES string

COC(=O)CCCC2(c1ccccc1)[C]3=4c5c6c7c8c9c%10c(c%11c%12c3c%13c5c%14c%15c6c%16c7c%17c9c%18c%19c%10c%20c%11c%21c%12c%22c%13c%23c%14c%24c%15c%25c%16c%26c%17c%18c%27c%28c%19c%20c%29c%21c%30c%22c%23c%31c%24c%32c%25c%26c%27c%33c%28c%29c%30c%31c%32%33)[C]2=48

InChI

1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-59-52-40-32-23-14-12-13-15-18(14)27-34(32)42-43-35(27)33-24(15)26-22-17(13)20-19-16(12)21-25(23)38(40)46-44-30(21)28(19)36-37-29(20)31(22)45-47-39(26)41(33)53-55(43)64(63(66)54(42)52)67-60(53)58(47)62-51(45)49(37)56-48(36)50(44)61(57(46)59)68(71)65(56)69(62)72(67,70)71/h2-4,6-7H,5,8-9H2,1H3

InChI key

MCEWYIDBDVPMES-UHFFFAOYSA-N

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General description

[6,6]-Phenyl C61 butyric acid methyl ester ([60]PCBM) is a methanofullerene that has a better solubility in organic solvents than fullerenes(C60). It has high electron mobility which enables its function as an electron acceptor in electrochemical applications.

Application

[60]PCBM is an n-type semi-conductor widely used as an electron transport material with low cost and high surface area in different energy based applications like organic photovoltaics (OPVs), perovskite solar cells (PSCs), field effect transistors (FETs) and photodetectors.
Soluble n-channel organic semiconductor. For use as an n-type layer in plastic electronics, especially bulk heterojunction OFETs and photovoltaic cells (PVs).

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Field-effect transistor structures on the basis of poly (3-hexylthiophene), fullerene derivatives (60) PCBM,(70) PCBM, and nickel nanoparticles.
Aleshin N, et al.
Physics of the Solid State, 58(9), 1882-1890 (2016)
Independent control of open-circuit voltage of organic solar cells by changing film thickness of MoO3 buffer layer
Kinoshita, Y.; Takenaka, R.; Murata, H.
Applied Physics Letters, 92, 243309-243309 (2008)
Efficient and highly air stable planar inverted Perovskite solar cells with reduced Graphene oxide doped PCBM electron transporting layer.
Kakavelakis G, et al.
Advanced Energy Materials, 7(7), 1602120-1602120 (2017)
Improving the photo current of the (60) PCBM/P3HT photodetector device by using wavelength-matched photonic crystals.
Li S, et al.
Journal of Material Chemistry C, 2(8), 1500-1504 (2014)
First-principles investigation of organic photovoltaic materials C 60, C 70,(C 60) PCBM, and bis-(C 60) PCBM using a many-body G 0 W 0-Lanczos approach.
Qian X, et al.
Physical Review. B, Condensed Matter and Materials Physics, 91(24), 245105-245105 (2015)
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