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

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, Ruba Al-Ajeil

World Journal of Chemical Education. 2020, 8(2), 87-91 doi:10.12691/wjce-8-2-4
  • Figure 1. (A) Absorption spectrum of 1 in CH2Cl2 (1×10−6 M). (B) Tauc/Davis–Mott plot used to determine the bandgap energy (Eg) of 1. (C) Absorption spectrum of 2 in CH2Cl2 (1×10−6 M). (D) Tauc/Davis–Mott plot used to determine Eg of 2. (E) Absorption spectrum of 3 in CH2Cl2 (1×10−6 M). (F) Tauc/Davis–Mott plot used to determine Eg of 3
  • Figure 2. (A) DRS profile of 1. (B) Kubelka–Munk plot used to determine the bandgap (Eg) of 1. (C) DRS profile of 2. (D) Kubelka–Munk plot used to determine Eg of 2. (E) DRS profile of 3. (F) Kubelka–Munk plot used to determine Eg of 3
  • Figure 3. Energy gap of 1 calculated using QCHEM software
  • Figure 4. Energy gap of 2 calculated using QCHEM software
  • Figure 5. Energy gap of 3 calculated using QCHEM software