Abstract
The ‘(E)-4-(diethylamino)-2-((4-phenoxyphenylimino)methyl)phenol (DPMP)’ compound, C23H24N2O2 is synthesized and verified by single crystal X-ray diffraction. Additionally, the molecule is designated by UV–Vis and FT-IR spectroscopies and computed in ground state by Density Functional Theory (DFT/B3LYP) using 6-311 + G (d, p) basis set. The optimized geometric parameters and vibrational frequencies indicate good consistency with the experimental data. Hirshfeld surface analyses (dnorm surfaces and two-dimensional fingerprint plots) for DPMP are presented and discussed. Natural Bond Orbital (NBO) analysis is conducted to explore the interactions and charge transfers among different orbitals and lone pairs taking place within the titled compound. Molecular Electrostatic Potential (MEP) and the electronic features such as HOMO and LUMO energy gap illustrate the chemical activity of the DPMP.
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.
