YD2
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MedKoo CAT#: 555167

CAS#: 1201915-91-4

Description: YD2 is a porphyrin sensitizer. YD2 is a useful material for making solar cell. Cosensitization of YD2-o-C8 with another organic dye enhances the performance of the device, leading to a measured power conversion efficiency of 12.3% under simulated air mass 1.5 global sunlight.


Chemical Structure

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YD2
CAS# 1201915-91-4

Theoretical Analysis

MedKoo Cat#: 555167
Name: YD2
CAS#: 1201915-91-4
Chemical Formula: C81H89N5O2Zn
Exact Mass: 1227.6308
Molecular Weight: 1230.016
Elemental Analysis: C, 79.10; H, 7.29; N, 5.69; O, 2.60; Zn, 5.32

Price and Availability

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50.0mg USD 455.0 2 Weeks
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Synonym: YD2; YD-2; YD 2.

IUPAC/Chemical Name: [5-[Bis(4-hexylphenyl)amino]-15-[2-(4-carboxyphenyl)ethynyl]-10,20-bis(3,5-di-tert-butylphenyl)porphyrinato]zinc(II)

InChi Key: UUCNKZFNPQUPQT-WTAPIWFDSA-M

InChi Code: InChI=1S/C81H90N5O2.Zn/c1-15-17-19-21-23-53-27-34-63(35-28-53)86(64-36-29-54(30-37-64)24-22-20-18-16-2)76-72-45-43-70(84-72)74(57-47-59(78(3,4)5)51-60(48-57)79(6,7)8)68-41-39-66(82-68)65(38-31-55-25-32-56(33-26-55)77(87)88)67-40-42-69(83-67)75(71-44-46-73(76)85-71)58-49-61(80(9,10)11)52-62(50-58)81(12,13)14;/h25-30,32-37,39-52H,15-24H2,1-14H3,(H2-,82,83,84,85,87,88);/q-1;+2/p-1/b66-65-,67-65-,74-68-,74-70-,75-69-,75-71-,76-72+,76-73+;

SMILES Code: CC(C1=CC(C(C)(C)C)=CC(C(C2=CC=C(N23)C(N(C4=CC=C(CCCCCC)C=C4)C5=CC=C(CCCCCC)C=C5)=C6C=CC(C(C7=CC(C(C)(C)C)=CC(C(C)(C)C)=C7)=C8C=C9)=[N+]6%10)=C%11C=CC%12=[N+]%11[Zn-2]%103N8C9=C%12C#CC%13=CC=C(C(O)=O)C=C%13)=C1)(C)C

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 1230.016 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Chiba S, Wakabayashi T, Tachi Y, Takaki N, Terashima A, Okumura S, Yoshida T. Method to Reduce Long-lived Fission Products by Nuclear Transmutations with Fast Spectrum Reactors. Sci Rep. 2017 Oct 24;7(1):13961. doi: 10.1038/s41598-017-14319-7. Erratum in: Sci Rep. 2017 Dec 5;7(1):17270. PubMed PMID: 29066843; PubMed Central PMCID: PMC5654822.

2: Balanay MP, Kim DH. Strategic Design of Bacteriochlorins as Possible Dyes for Photovoltaic Applications. J Phys Chem A. 2017 Sep 7;121(35):6660-6669. doi: 10.1021/acs.jpca.7b07957. Epub 2017 Aug 28. PubMed PMID: 28800232.

3: Higashino T, Kurumisawa Y, Cai N, Fujimori Y, Tsuji Y, Nimura S, Packwood DM, Park J, Imahori H. A Hydroxamic Acid Anchoring Group for Durable Dye-Sensitized Solar Cells Incorporating a Cobalt Redox Shuttle. ChemSusChem. 2017 Sep 11;10(17):3347-3351. doi: 10.1002/cssc.201701157. Epub 2017 Aug 16. PubMed PMID: 28722326.

4: Zhang CR, Li XY, Shen YL, Wu YZ, Liu ZJ, Chen HS. Molecular Docking toward Panchromatic Dye Sensitizers for Solar Cells Based upon Tetraazulenylporphyrin and Tetraanthracenylporphyrin. J Phys Chem A. 2017 Apr 6;121(13):2655-2664. doi: 10.1021/acs.jpca.6b12979. Epub 2017 Mar 28. PubMed PMID: 28319383.

5: Kim BM, Han HG, Kim JS, Shin H, Kwon TH. Control and Monitoring of Dye Distribution in Mesoporous TiO(2) Film for Improving Photovoltaic Performance. ACS Appl Mater Interfaces. 2017 Jan 25;9(3):2572-2580. doi: 10.1021/acsami.6b15488. Epub 2017 Jan 12. PubMed PMID: 28059500.

6: Kang GJ, Song C, Ren XF. Charge Transfer Enhancement in the D-π-A Type Porphyrin Dyes: A Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) Study. Molecules. 2016 Nov 25;21(12). pii: E1618. PubMed PMID: 27897999.

7: Syu YK, Tingare Y, Lin SY, Yeh CY, Wu JJ. Porphyrin Dye-Sensitized Zinc Oxide Aggregated Anodes for Use in Solar Cells. Molecules. 2016 Aug 5;21(8). pii: E1025. doi: 10.3390/molecules21081025. PubMed PMID: 27527136.

8: Higashino T, Kawamoto K, Sugiura K, Fujimori Y, Tsuji Y, Kurotobi K, Ito S, Imahori H. Effects of Bulky Substituents of Push-Pull Porphyrins on Photovoltaic Properties of Dye-Sensitized Solar Cells. ACS Appl Mater Interfaces. 2016 Jun 22;8(24):15379-90. doi: 10.1021/acsami.6b03806. Epub 2016 Jun 7. PubMed PMID: 27267428.

9: Mendizabal F, Lopéz A, Arratia-Pérez R, Inostroza N, Linares-Flores C. Interaction of YD2 and TiO₂ in dye-sensitized solar cells (DSSCs): a density functional theory study. J Mol Model. 2015 Sep;21(9):226. doi: 10.1007/s00894-015-2771-5. Epub 2015 Aug 13. PubMed PMID: 26267296.

10: Mai CL, Moehl T, Hsieh CH, Décoppet JD, Zakeeruddin SM, Grätzel M, Yeh CY. Porphyrin Sensitizers Bearing a Pyridine-Type Anchoring Group for Dye-Sensitized Solar Cells. ACS Appl Mater Interfaces. 2015 Jul 15;7(27):14975-82. doi: 10.1021/acsami.5b03783. Epub 2015 Jul 1. PubMed PMID: 26083949.

11: Higashino T, Fujimori Y, Sugiura K, Tsuji Y, Ito S, Imahori H. Tropolone as a High-Performance Robust Anchoring Group for Dye-Sensitized Solar Cells. Angew Chem Int Ed Engl. 2015 Jul 27;54(31):9052-6. doi: 10.1002/anie.201502951. Epub 2015 Jun 16. PubMed PMID: 26080034.

12: Zhai P, Lee CC, Chang YH, Liu C, Wei TC, Feng SP. A significant improvement in the electrocatalytic stability of N-doped graphene nanosheets used as a counter electrode for [Co(bpy)3](3+/2+) based porphyrin-sensitized solar cells. ACS Appl Mater Interfaces. 2015 Jan 28;7(3):2116-23. doi: 10.1021/am5083705. Epub 2015 Jan 14. PubMed PMID: 25556598.

13: Zhang X, Du Y, Chen Q, Sun H, Pan T, Hu G, Ma R, Sun Y, Li D, Dou J, Pan X. Theoretical screening of novel alkyne bridged zinc porphyrins as sensitizer candidates for dye-sensitized solar cells. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Dec 10;133:514-20. doi: 10.1016/j.saa.2014.06.015. Epub 2014 Jun 14. PubMed PMID: 24983919.

14: Ørnsø KB, Pedersen CS, Garcia-Lastra JM, Thygesen KS. Optimizing porphyrins for dye sensitized solar cells using large-scale ab initio calculations. Phys Chem Chem Phys. 2014 Aug 14;16(30):16246-54. doi: 10.1039/c4cp01289e. PubMed PMID: 24972146.

15: Luo J, Xu M, Li R, Huang KW, Jiang C, Qi Q, Zeng W, Zhang J, Chi C, Wang P, Wu J. N-annulated perylene as an efficient electron donor for porphyrin-based dyes: enhanced light-harvesting ability and high-efficiency Co(II/III)-based dye-sensitized solar cells. J Am Chem Soc. 2014 Jan 8;136(1):265-72. doi: 10.1021/ja409291g. Epub 2013 Dec 24. PubMed PMID: 24345083.

16: Kurotobi K, Toude Y, Kawamoto K, Fujimori Y, Ito S, Chabera P, Sundström V, Imahori H. Highly asymmetrical porphyrins with enhanced push-pull character for dye-sensitized solar cells. Chemistry. 2013 Dec 9;19(50):17075-81. doi: 10.1002/chem.201303460. Epub 2013 Nov 13. PubMed PMID: 24227165.

17: Han LH, Zhang CR, Zhe JW, Jin NZ, Shen YL, Wang W, Gong JJ, Chen YH, Liu ZJ. Understanding the electronic structures and absorption properties of porphyrin sensitizers YD2 and YD2-o-C8 for dye-sensitized solar cells. Int J Mol Sci. 2013 Oct 10;14(10):20171-88. doi: 10.3390/ijms141020171. PubMed PMID: 24152435; PubMed Central PMCID: PMC3821609.

18: Karthikeyan S, Lee JY. Zinc-porphyrin based dyes for dye-sensitized solar cells. J Phys Chem A. 2013 Oct 24;117(42):10973-9. doi: 10.1021/jp408473k. Epub 2013 Oct 14. PubMed PMID: 24090130.

19: Zhang X, Chen Q, Sun H, Pan T, Hu G, Ma R, Dou J, Li D, Pan X. Theoretical design and screening of alkyne bridged triphenyl zinc porphyrins as sensitizer candidates for dye-sensitized solar cells. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 24;118:564-71. doi: 10.1016/j.saa.2013.09.020. Epub 2013 Sep 12. PubMed PMID: 24084486.

20: Santhanamoorthi N, Lo CM, Jiang JC. Molecular Design of Porphyrins for Dye-Sensitized Solar Cells: A DFT/TDDFT Study. J Phys Chem Lett. 2013 Feb 7;4(3):524-30. doi: 10.1021/jz302101j. Epub 2013 Jan 25. PubMed PMID: 26281749.

YD2

50.0mg / USD 455.0