Synthesis, spectral, molecular structure, HOMO-LUMO and NLO analysis of some (E)-N’-(3,3-dimethyl-2,6-diarylpiperidin-4-ylidene)-4-methoxybenzohydrazide

• Authors: G. Sundaraselvan , S. Darlin Quine
• Languages of publication: EN

Abstracts

EN

(E)-N’-(3,3-dimethyl-2,6-diarylpiperidin-4-ylidene)-4-methoxybenzohydrazide (DDMs) have been synthesized and their IR and 1H spectra were recorded. The optimized geometric parameters (bond lengths, bond angles and dihedral angles) were in good agreement with the corresponding experimental values. In addition, HOMO-LUMO, MEP and atomic charges of carbon, nitrogen and oxygen were calculated using B3LYP/6-311G(d,p) level theory. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted.

Keywords

EN

C. Mutlur; Chidambaram - 608102; Department of Chemistry; Government Arts College; India

Discipline

• CHEMISTRY: CHEMISTRY

• Publisher: Scientific Publishing House „DARWIN”
• Journal: World Scientific News
• Year: 2016
• Volume: 36
• Pages: 27-46

Contributors

author

G. Sundaraselvan

• Department of Chemistry, Government Arts College, C. Mutlur, Chidambaram - 608102, India

author

S. Darlin Quine

• Department of Chemistry, Government Arts College, C. Mutlur, Chidambaram - 608102, India

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• Document Type: article