Investigation of K-Serotonin Structure Using Nuclear Magnetic Resonance by Quantum Chemical Methods

Authors : Mücahit YILMAZ, Hanifi KEBİROGLU

Pages : 49-55

Doi:10.54565/jphcfum.1201785

View : 20 | Download : 10

Publication Date : 2022-12-12

Article Type : Research Paper

Abstract :In this study, the K-Serotonin structure formed by adding potassium to Serotonin insert ignore into journalissuearticles values(5-HT); was investigated by quantum chemical methods. 5-hydroxytryptamine is a neurotransmitter that affects mood, making people feel happy and energetic. 5-HT and 5-HT-potassium were optimized with some base sets to find the optimal band gap using the density function theory insert ignore into journalissuearticles values(DFT); and Hartree-Fock insert ignore into journalissuearticles values(HF); method. The most suitable DFT/LanL2DZ was selected for the structure with and without additives. By calculating the values for 5-HT and K-5-HT, the effects of potassium on 5-HT binding were compared.
Keywords : Serotonin 5 HT, K Serotonin K 5 HT, DFT, HF, FT IR, UV vis, NMR, HOMO LUMO, DOS