Theoretical study of the hydrogen-bonded complexes serotonin-water/hydrogen peroxide.
Eight H-bonded complexes between serotonin (5-hydroxy-tryptamine) and water/hydrogen peroxide were studied at the B3LYP and HF levels of theory, using the 6-31+G(d) basis set. A thermodynamic analysis was performed in order to find the most stable complex. The calculated bonding parameters showed that the most stable H-bonded complex is formed between serotonin and hydrogen peroxide by means of the intermolecular H-bond -H2N...H-OOH. Theoretical study of the hydrogen-bonded supersystems serotonin-water/hydrogen peroxide. [Figure: see text].
Delchev
Vassil B
VB
Department of Physical Chemistry, University of Plovdiv, Plovdiv, Bulgaria. vdelchev@hotmail.com
Mikosch
Hans
H
D006860:Hydrogen Bonding; D006861:Hydrogen Peroxide / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D012701:Serotonin / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D014732:Vibration; D014867:Water / Q000737:chemistry*
D014867:Water; D012701:Serotonin; D006861:Hydrogen Peroxide