Ferrocene Appended Asymmetric Sensitizers with Azine Spacers with phenolic/nitro anchors for Dye-Sensitized Solar Cells

Amita Singh, Gabriele Kociok-Köhn, Ratna Chauhan, Mohd Muddassir, Suresh W. Gosavi, Abhinav Kumar

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9 Citations (SciVal)


Two extensively conjugated asymmetric ferrocene appended compounds with azine spacers, and phenolic and nitro groups as terminal groups with the following formulas Fc-CH=N-N=CH-p-C6H4-OH (Fc-OH) and Fc-CH=N-N=CH-p-C6H4-NO2 (Fc-NO2) (Fc= ferrocene) have been synthesized and characterized using micro-analyses, FTIR, 1H and 13C NMR, UV-Vis and for Fc-NO2 single crystal X-ray diffraction. The structural studies reveal that Fc-NO2 possess an extensively conjugated system where C5H4(Cp)-CH=N-N=CH-p-C6H4-NO2 is nearly planar which suggest strong electron communication from the ferrocene moiety to the p-C6H4-NO2 group via a -CH=N-N=CH- spacer. Both compounds have been used as sensitizers in titanium oxid based dye-sensitized solar cells (DSSCs) which indicate that amongst both sensitizers the Fc-OH one exhibited a better cell performance with Jsc 12.91 mA·cm−2, Voc 0.710 V, η 5.88% and incident photon to a current conversion efficiency of 53%. Electron injection in the conduction band of the titanium oxide semiconductor have been authenticated with the help of density of states calculations.

Original languageEnglish
Article number131630
JournalJournal of Molecular Structure
Early online date4 Oct 2021
Publication statusPublished - 5 Feb 2022

Bibliographical note

Funding Information:
Dr. Mohd. Muddassir is grateful to Researchers Supporting Project number (RSP-2021/141), King Saud University, Riyadh, Saudi Arabia, for financial assistance. Abhinav Kumar thanks Council of Scientific and Industrial Research (CSIR), New Delhi, for financial support through project number: 01(2899)/17/EMR-II.


  • Azines
  • Density of states
  • DSSC
  • Electron injection
  • Ferrocene

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry


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