World Journal of Chemical Education. 2020, 8(2), 87-91
DOI: 10.12691/WJCE-8-2-4
Original Research

Undergraduate Experiment Using Absorption and Diffuse Reflectance Spectroscopies: Theoretical and Experimental Bandgap Calculations of Porphyrins and Metalloporphyrins

Muna Bufaroosha1, , Shaikha S. Al Neyadi1, Ahmed Alzamly1, Mohamad Toutounji1, Na’il Saleh1, Bashar Yousef Abuhattab1, Abdullah Al-Hemyari1, Amna Alyammahi1, Shamma Alzahmi1, Mohamed Altubji1 and Ruba Al-Ajeil1

1Department of Chemistry, UAE University, P.O. Box 15551, Al-Ain, UAE

Pub. Date: April 22, 2020

Cite this paper

Muna Bufaroosha, Shaikha S. Al Neyadi, Ahmed Alzamly, Mohamad Toutounji, Na’il Saleh, Bashar Yousef Abuhattab, Abdullah Al-Hemyari, Amna Alyammahi, Shamma Alzahmi, Mohamed Altubji and Ruba Al-Ajeil. Undergraduate Experiment Using Absorption and Diffuse Reflectance Spectroscopies: Theoretical and Experimental Bandgap Calculations of Porphyrins and Metalloporphyrins. World Journal of Chemical Education. 2020; 8(2):87-91. doi: 10.12691/WJCE-8-2-4

Abstract

In this work, an undergraduate-level experiment using 5,10,15,20-tetraphenylporphyrin (H2TPP) and its corresponding Ni(II) and Zn(II) metal complexes was developed. The bandgaps of H2TPP and its Ni(II) and Zn(II) metal complexes were calculated experimentally and theoretically to evaluate their abilities to act as light-harvesting complexes.

Keywords

porphyrins, metalloporphyrins, bandgap, light-harvesting complex, Tauc/Davis–Mott equation, diffuse reflectance spectroscopy, Kubelka-Munk method

Copyright

Creative CommonsThis work is licensed under a Creative Commons Attribution 4.0 International License. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/

References

[1]  Shah, E.V., et al., Co-Tetraphenylporphyrin (co-TPP) in TM-TPP (TM = Fe, Co, Ni, Cu, and Zn) series: a new optical material under DFT. Journal of Molecular Modeling, 2018. 24(9), 239.
 
[2]  Alzamly, A., Alawadhi, A., Ahmed, S., Bakiro, M., & Bufaroosha, M., Photosensitizer Using Visible Light: An Undergraduate Laboratory Experiment Utilizing an Affordable Photocatalytic Reactor. International Journal for Innovation Education and Research, 2018. 6(11), 74-84.
 
[3]  Penttilä, A., C.R. Boyle, and M.L. Salin, Active Oxygen Intermediates and Chlorophyllin Bleaching. Biochemical and Biophysical Research Communications, 1996. 226(1), 135-139.
 
[4]  Zhao, Q., et al., Out-of-Plane Coordinated Porphyrin Nanotubes with Enhanced Singlet Oxygen Generation Efficiency. Scientific Reports, 2016. 6(1), 31339.
 
[5]  Tauc, J., Absorption edge and internal electric fields in amorphous semiconductors. Materials Research Bulletin, 1970. 5(8), 721-729.
 
[6]  Neyadi, S.S.A., et al., An Undergraduate Experiment Using Microwave-Assisted Synthesis of Metalloporphyrins: Characterization and Spectroscopic Investigations. World Journal of Chemical Education, 2019. 7(1), 26-32.
 
[7]  Kong, J., et al., Q-Chem 2.0: a high-performance ab initio electronic structure program package. Journal of Computational Chemistry, 2000. 21(16), 1532-1548.
 
[8]  Li, X., et al., Determination of band gaps of self-assembled carbon nanotube films using Tauc/Davis–Mott model. Applied Physics A, 2009. 97(2), 341-344.
 
[9]  López, R. and R. Gómez, Band-gap energy estimation from diffuse reflectance measurements on sol–gel and commercial TiO2: a comparative study. Journal of Sol-Gel Science and Technology, 2012. 61(1), 1-7.