Abstract
The study focuses on the green synthesis of a novel bis-Schiff base (EE) derived from 4-N, N-dimethylaminobenzaldehyde, and hexamethylenediamine. The structural properties of the bis-Schiff base were investigated using experimental methods such as IR, 1HNMR, 13CNMR, and elemental analyses (CHN). Computer simulation using Gaussian03 software at DFT/B3LYP/6–311 G (d, p) level of theory was also used to identify the structural parameters, geometrical isomers, conformational analysis, Mulliken charges, optical properties, frontier orbitals, electrostatic potential map and chemical reactivity descriptors of the bis-Schiff base. The formation mechanism of EE and its geometrical isomers were studied. The study compares theoretical and experimental IR, 1HNMR, and 13CNMR spectra, highlighting the importance of green chemistry in reducing toxic organic solvents and chemicals.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
