Spectral and Structural Perspectives of 1,3,3-Trimethyl-2,6-Diphenylpiperidin-4-one
K. Gokula Krishnan1, C. Udhaya Kumar2, T. Vidhyasagar3, M. Velayutham Pillai4, C. Ramalingan5
1K. Gokula Krishnana, Department of Chemistry Advanced Sciences, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
2C. Udhaya Kumar, Department of Chemistry Advanced Sciences, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
3T. Vidhyasagar, Department of Chemistry, Annamalai University, Chidambaram (Tamil Nadu), India.
4M. Velayutham Pillai, Department of Chemistry Advanced Sciences, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
5C. Ramalinga, Department of Chemistry Advanced Sciences, Kalasalingam Academy of Research and Education College, Krishnankoil (Tamil Nadu), India.
Manuscript received on 01 December 2019 | Revised Manuscript received on 19 December 2019 | Manuscript Published on 31 December 2019 | PP: 489-495 | Volume-8 Issue-4S2 December 2019 | Retrieval Number: D11591284S219/2019©BEIESP | DOI: 10.35940/ijrte.D1159.1284S219
Open Access | Editorial and Publishing Policies | Cite | Mendeley | Indexing and Abstracting
© The Authors. Blue Eyes Intelligence Engineering and Sciences Publication (BEIESP). This is an open access article under the CC-BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/)
Abstract: In this work, we report spectral, structural and computational studies on 1,3,3-trimethyl-2,6-diphenylpiperidin-4-one (TMP). The molecular structure of the title compound in the ground state has been investigated by DFT-B3LYP method with 6-311G (d,p) basis set. The optimized structural parameters of the title compound acquired from DFT method has been found in accord with the single crystal XRD values. Vibrational and Mulliken analysis, frontier molecular orbitals and molecular electrostatic potential of the title compound have also been calculated and discussed. The small energy gap (EHOMO-ELUMO) show that the charge transfer occurs within the molecule.
Keywords: 2,6-diphenylpiperidin-4-one, DFT, 1H and 13C NMR Spectra, Stereochemistry.
Scope of the Article: Bio-Science and Bio-Technology