Serotonin: Structural Characterization and Determination of The Band Gap Energy

Density function theory and Hatree-Fock approximation were used to optimize serotonin molecule with different basis set to find its band gap energy. By comparison with literature results we chose DFT with basis set SDD. The vibrational spectra analysis of serotonin was performed using Infrared technique and NMR spectra analysis of the titled molecule was viewed for the preferred basis set.

Keywords:

Serotonin Band gap energy, DFT, Hartree-Fock, IR NMR,

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