The opportunity of using carbon nanotubes to transport adrenaline medication has captured significant attention in recent research due to its potential applications in medicine and patient care. By applying density functional theory (DFT) and the (B3LYP) /6-31G (d) basis set, further research could reveal the correct model for transporting adrenaline using nanotubes successfully. This can be achieved by studying the electronic, structural and vibrational properties of adrenaline; carbon nanotubes; and how adrenaline and the carbon nanotube behave when bonded together. Moreover, these interactions can be measured by using features such as bond length, tetrahedral angle, IR intensity, HOMO and LUMO and electrostatic potential.
The results of this study show that the calculated lengths of bonding are in agreement with experimental values; and that HOMO and LUMO are limit orbital in chemical types and are very important in defining its reactivity. At peak level, the highest absorption of adrenaline absorption is (365) in frequency for hydrogen atoms with wagging mode; the highest peak of (1350) in frequency is observed for hydrogen and carbon atoms in symmetry mode; and the carbon nanotubes were recorded at (1350) in frequency at the highest peak. According to these findings, nanotube-bonded adrenaline is observed at (404) in peak frequency; adrenaline was observed to bond with the nanotube in symmetry mode; and adrenaline was also observed to bond with the nanotube at a tetrahedral angle in deviation from its ideal value.
In addition to these findings, the tendency towards a green colour mapping of adrenaline suggests a neutral electrostatic potential. When the dipole moment was not equal to zero, this molecule would not be in polarity. However, polarity was observed to be present when both adrenaline and the nanotube were combined together. Moreover, where adrenaline UV was located in close proximity to the ultraviolet, bonding between the adrenaline and the carbon nanotube was observed in the visible