CAS 4733-39-5 Bathocuproine (purified by sublimation)

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Bathocuproine (purified by sublimation)

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Catalog Number

ACM4733395-1

CAS Number

4733-39-5

Product Name

Bathocuproine (purified by sublimation)

Structure

Category

Ligands for Functional Metal Complexes; Other Material Building Blocks; Organic Light-Emitting Diode (OLED) Materials; Perovskite Solar Cell (PSC) Materials

Synonyms

2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline (purified by sublimation)

IUPAC Name

2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline

Molecular Weight

360.46

Molecular Formula

C26H20N2

Canonical SMILES

CC1=CC(=C2C=CC3=C(C=C(N=C3C2=N1)C)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2/c1-17-15-23(19-9-5-3-6-10-19)21-13-14-22-24(20-11-7-4-8-12-20)16-18(2)28-26(22)25(21)27-17/h3-16H,1-2H3

InChI Key

STTGYIUESPWXOW-UHFFFAOYSA-N

Melting Point

283 °C

Purity

>99.0%(T)(HPLC)

Appearance

Light yellow to Yellow to Green powder to crystal

Application

Bathocuproine, purified by sublimation, serves a crucial role in enhancing the performance of organic photovoltaic cells (OPVCs) by acting as an electron-modifying layer or interlayer between electron transport layers in devices like calcite solar cells. It can be applied using spin-coating deposition or vacuum thermal evaporation methods. As a wide-band-gap material with high electron affinity, Bathocuproine functions as an exciton-blocking barrier, preventing exciton diffusion towards the aluminum electrode, where they might otherwise be quenched, thereby boosting energy conversion efficiency. Its incorporation improves power-conversion efficiency by promoting increased exciton harvesting within the active layer. Furthermore, Bathocuproine is often used as a buffer layer between the electron acceptor material, such as C60, and the aluminum electrode, establishing an Ohmic contact and reducing nonradiative recombination of excitons. Its role as a hole-blocking material in organic electronics, including perovskite solar cells, underscores its importance in advancing solar technology.

Storage

Store under inert gas

Complexity

461

Covalently-Bonded Unit Count

EC Number

225-240-5

Exact Mass

360.162649g/mol

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H413 : May cause long lasting harmful effects to aquatic life.

Heavy Atom Count

MDL Number

MFCD00004972

MeSH Entry Terms

2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;bathocuproine;bathocuproine sulfite (1:2)

Monoisotopic Mass

360.162649g/mol

NSC Number

89195

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

Rotatable Bond Count

Signal Word

Warning

UNII

9THP2V94FX

XLogP3

6.5

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