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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Padmavathy, Manoharan Jayabharathi, Jayaraman Thanikachalam, Venugopal Srinivasan, Natesan |
| Description | Country affiliation: India Author Affiliation: Jayabharathi J ( Department of Chemistry, Annamalai University, Annamalainagar 608 002, India. jtchalam2005@yahoo.co.in) |
| Abstract | (1)H and (13)C NMR spectra were recorded for some novel picrate derivatives derived from some 3,3-methyl-2,6-diarylpiperidin-4-ones and 3-benzyl-2,6-diarylpiperidin-4-one. The difference in the chemical shift of equatorial methylene proton and axial methylene proton at C(5) [Δ = δ(eq)-δ(ax)] is highly negative which is in contrast to the value observed in the corresponding parent piperidin-4-ones and this is attributed to the syn 1,3-diaxial interaction between the axial N-H bond and axial hydrogen at C-5. The effect of protonation on the chemical shifts was studied in detail. The chemical shifts of the heterocyclic ring protons are influenced by the picrate anion. Solvatochromism of picrates were studied in detail. DFT calculations were carried out in order to find out the NBO analysis, HOMO-LUMO energies, MEP studies and hyperpolarisability behaviour. The electric dipole moment (µ) and the first-hyperpolarisability (ß) value of the investigated molecules have been studied theoretically which reveal that the synthesized molecules have microscopic non-linear optical (NLO) behaviour with non-zero values. |
| ISSN | 13861425 |
| Issue Number | 1 |
| Volume Number | 81 |
| e-ISSN | 18733557 |
| Journal | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2011-10-15 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Picrates Chemistry Chemical Synthesis Absorption Chemical Phenomena Fluorescence Hydrogen Bonding Models, Biological Models, Molecular Molecular Conformation Optical Rotation Solvents Pharmacology Spectrum Analysis Methods Static Electricity Journal Article Discipline Spectroscopy |
| Content Type | Text |
| Resource Type | Article |
| Subject | Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation |
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