Skip to main content
SpringerLink
Log in

Influence of the number of anchor groups on the photophysical properties of coordination compounds as components of dye-sensitized solar cells

  • Full Articles
  • Published:
Russian Chemical Bulletin Aims and scope

Abstract

The geometry, electronic structure and properties, and composition of frontier molecular orbitals of the FeII complex with 4,4´,4´´,4´´´-substituted 2,2´:6´,2´´:6´´,2´´´-quaterpyridine were examined using quantum chemical simulation. This compound was proposed for use as a photoactive component in dye-sensitized solar cells. The regularities were established of the influence of the number of carboxyl groups in the molecular structure on the composition and energy of the frontier orbitals determining the electronic absorption spectra of the studied compounds. The presence of two COOH groups in the structure of the studied complex is the most optimal for use as a sensitizer.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. B. O´Regal, M. Grätzel, Nature, 1991, 353, 737.

    Article  Google Scholar 

  2. A. Hagfeldt, G. Boschloo, L. Sun, L. Kloo, H. Pettersson, Chem. Rev., 2010, 110, 6595.

    Article  CAS  Google Scholar 

  3. L. Zhang, J. M. Cole, ACS Appl. Mater. Interfaces, 2015, 7, 3427.

    Article  CAS  Google Scholar 

  4. K. Ladomenou, T. N. Kitsopoulos, G. D. Sharma, A. G. Coutsolelos, RSC Adv., 2014, 4, 21379.

    Article  CAS  Google Scholar 

  5. M. Pastore, F. De Angelis, Phys. Chem. Chem. Phys., 2012, 14, 920.

    Article  CAS  Google Scholar 

  6. W. Du, H.-B. Li, Y. Geng, Y. Wu, M. Zhang, Z.-M. Su, J. Photochem. Photobiol., A, 2015, 301, 40.

    Article  CAS  Google Scholar 

  7. S. G. Yan, J. T. Hupp, J. Phys. Chem., 1996, 100, 6867.

    Article  CAS  Google Scholar 

  8. F. De Angelis, S. Fantacci, A. Selloni, M. K. Nazeeruddin, M. Gratzel, J. Phys. Chem. C, 2010, 114, 6054.

    Article  Google Scholar 

  9. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. AlLaham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian03, Revision E.1, Gaussian, 2003.

    Google Scholar 

  10. P. J. Stephens, F. J. Devlin, C. F. Chabalowski, M. J. Frisch, J. Phys. Chem., 1994, 98, 11623.

    Article  CAS  Google Scholar 

  11. A. D. Becke, J. Chem. Phys., 1993, 98, 5648.

    Article  CAS  Google Scholar 

  12. C. Lee, W. Yang, R. G. Parr, Phys. Rev. B, 1988, 37, 785.

    Article  CAS  Google Scholar 

  13. S. Miertus, E. Scrocco, J. Tomasi, Chem. Phys., 1981, 55, 117.

    Article  CAS  Google Scholar 

  14. R. Cammi, J. Tomasi, J. Comput. Chem., 1995, 16, 1449.

    Article  CAS  Google Scholar 

  15. G. A. Zhurko, D. A. Zhurko, Chemcraft Version 1.6 (build 338); http://www.chemcraftprog.com.

  16. Chemissian 1.770; http://www. chemissian.com.

  17. M. K. Nazeeruddin, S. M. Zakeeruddin, R. Humphry-Baker, M. Jirousek, P. Liska, N. Vlachopoulos, V. Shklover, C.-H. Fischer, M. Grätzel, Inorg. Chem., 1999, 38, 6298.

    Article  CAS  Google Scholar 

  18. M. K. Nazeeruddin, P. Péchy, T. Renouard, S. M. Zakeeruddin, R. Humphry-Baker, P. Comte, P. Liska, L. Cevey, E. Costa, V. Shklover, L. Spiccia, G. B. Deacon, C. A. Bignozzi, M. Grätzel, J. Am. Chem. Soc., 2001, 123, 1613.

    Article  CAS  Google Scholar 

  19. C. Coluccini, N. Manfredi, M. M. Salamone, R. Ruffo, M. G. Lobello, F. D. Angelis, A. Abbotto, J. Org. Chem., 2012, 77, 7945.

    Article  CAS  Google Scholar 

  20. Xiaoqing Lu, Shuxian Wei, Chi-Man Lawrence Wu, Ning Ding, Shaoren Li, Lianming Zhao, Wenyue Guo, Intern. J. Photoen., 2011, article 316952, 11 p., doi: 10.1155/2011/ 316952.

    Google Scholar 

  21. J. Kruger, U. Bach, M. Grätzel, Adv. Mater., 2000, 12, 447.

    Article  CAS  Google Scholar 

  22. X. Liu, S. R. Scully, M. D. McGehee, J. S. Liu, C. K. Luscombe, J. M. J. Frechet, S. E. Shaheen, D. S. Ginley, J. Phys. Chem. B, 2006, 110, 3257.

    Article  CAS  Google Scholar 

  23. G. Rothenberger, D. Fitzmaurice, M. Grätzel, J. Phys. Chem., 1992, 96, 5983.

    Article  CAS  Google Scholar 

  24. I. Mora-Sero, J. Bisquert, J. Phys. Chem. Lett., 2010, 1, 3046.

    Article  CAS  Google Scholar 

  25. I. Nazmul, C. G. Dulal, Int. J. Mol. Sci., 2012, 13, 2160.

    Article  Google Scholar 

  26. R. Parthasarathi, V. Subramanian, D. R. Roy, P. K. Chattaraj, Bioorg. Med. Chem., 2004, 12, 5533.

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Southern Federal University, 7 ul. Zorge, 344090, Rostov-on-Don, Russian Federation

    A. A. Tsaturyan, I. N. Shcherbakov, V. A. Kogan & T. V. Shvydko

Authors
  1. A. A. Tsaturyan
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. I. N. Shcherbakov
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. V. A. Kogan
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. T. V. Shvydko
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to A. A. Tsaturyan.

Additional information

Based on the materials of the XXVI International Chugaev Conference on Coordination Chemistry (October 6—10, 2014, Kazan).

Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1801—1807, August, 2015.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Tsaturyan, A.A., Shcherbakov, I.N., Kogan, V.A. et al. Influence of the number of anchor groups on the photophysical properties of coordination compounds as components of dye-sensitized solar cells. Russ Chem Bull 64, 1801–1807 (2015). https://doi.org/10.1007/s11172-015-1074-4

Download citation

  • Received:

  • Revised:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11172-015-1074-4

Key words

Search

Navigation