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2016 | 36 | 27-46
Article title

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

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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.
Year
Volume
36
Pages
27-46
Physical description
Contributors
  • Department of Chemistry, Government Arts College, C. Mutlur, Chidambaram - 608102, India
  • Department of Chemistry, Government Arts College, C. Mutlur, Chidambaram - 608102, India, sdarlinquine@gmail.com
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Document Type
article
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YADDA identifier
bwmeta1.element.psjd-708885ba-2046-4507-b9ad-1c673db26020
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