Synthesis, characterisation and DFT studies of three Schiff bases derived from histamine
In this paper, we report first, the synthesis and characterisation of three Schiff bases derived
from histamine by condensation of histamine with various aldehydes. Then, we present a
detailed DFT study based on B3LYP/6-31G (d, p) of geometrical structures and electronic
properties of these compounds. The study was extended to the HOMO-LUMO analysis to
calculate the energy gap (Δ), Ionisation potential (I), Electron Affinity (A), Global Hardness
(η), Chemical Potential (μ), Electrophilicity (ω), Electronegativity (χ) and Polarisability (α) …
from histamine by condensation of histamine with various aldehydes. Then, we present a
detailed DFT study based on B3LYP/6-31G (d, p) of geometrical structures and electronic
properties of these compounds. The study was extended to the HOMO-LUMO analysis to
calculate the energy gap (Δ), Ionisation potential (I), Electron Affinity (A), Global Hardness
(η), Chemical Potential (μ), Electrophilicity (ω), Electronegativity (χ) and Polarisability (α) …
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