Abstract
In the present work, we propose a new idea, influence of green solvents (DMSO, Water) effect in structural parameter, ESP, NLO, orbital and population analysis (Mulliken, NPA, CHELPG) of 2-Nitrophenyl-hydrazine(2NPH) were determined by using quantum chemical density functional theory with B3LYP/6–311++G(d,p) as basis set. Employing atoms in molecules theory (AIM) to find the binding energies, ellipticity and Laplacian of the electron density projection by electron localization function (ELF) and Localized electron locator (LOL). An electron density (ED) based methodology is used to identification of inter/intra molecular interactions based on independent gradient model (IGM). Hirshfeld molecular surface analysis have also been performed and NCI analysis is performed to expose covalent-bonding pattern for title molecule.
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.
