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764949

Sigma-Aldrich

Tin(II) 2,3-naphthalocyanine

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About This Item

Empirical Formula (Hill Notation):
C48H24N8Sn
CAS Number:
110479-58-8
Molecular Weight:
831.47
MDL number:
MFCD00192501
UNSPSC Code:
12352103
PubChem Substance ID:
329767140
NACRES:
NA.23

form

powder

mp

>400 °C

λmax

735 nm in chloronaphthalene
789 nm in chloronaphthalene
830 nm in chloronaphthalene

SMILES string

[SnH2]1n2c3nc4nc(nc5n1c(nc6nc(nc2c7cc8ccccc8cc37)c9cc%10ccccc%10cc69)c%11cc%12ccccc%12cc5%11)c%13cc%14ccccc%14cc4%13

InChI

1S/C48H24N8.Sn/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41;/h1-24H;/q-2;+2

InChI key

SCYVSSHNBKWAKE-UHFFFAOYSA-N

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General description

Tin (II) 2,3-naphthalocyanine is widely used in organic photodiodes and solar cells since it exhibits very strong absorption in the infrared region (IR).This increases the power conversion efficiencies (PCE) of organic photovoltaic (OPV) cells since it absorbs light in the near infrared and infra-red portions of the electromagnetic spectrum which accounts for 50% of the solar photon flux.

Application

Used in the synthesis of naphthalocyanine based nano-crystalline thin films which show near IR absorption and high extinction coefficient inorganic thin film devices.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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Enhancement of photovoltaic characteristics of nanocrystalline 2, 3-naphthalocyanine thin film-based organic devices
Farag, A. A. M., Osiris, W. G., & Ammar, A. H.
Applied Surface Science, 259, 600-609 (2012)
N C Yates et al.
Journal of photochemistry and photobiology. B, Biology, 4(4), 379-390 (1990-03-01)
Metal naphthalocyanine complexes (MNCSs) absorb light in the near-IR spectral region (760 nm) where tissue penetration is optimal and they have been proposed as agents for photodynamic therapy (PDT). Sulphonated derivatives of tris-(2,3-naphthalocyanato) bis-chloroaluminium(III) and zinc(II) with various degrees of
Tin naphthalocyanine complexes for infrared absorption in organic photovoltaic cells
Pandey, R., Kerner, R. A., Menke, S. M., Holst, J., Josyula, K. V., & Holmes, R. J.
Organic Electronics, 14(3), 804-808 (2013)
Elena Jakubikova et al.
The journal of physical chemistry. A, 115(33), 9265-9272 (2011-08-02)
Tin naphthalocyanine molecules display strong absorption in the infrared region (IR), making them ideal as components of organic photodiodes and solar cells. We use density functional theory and time-dependent density functional theory (TD-DFT) at the B3LYP level to study the

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