Rajeswari, N. and Santhakumari, R. and Mugeshini, S. and Chandrika, D. and Sagadevan, Suresh (2021) Synthesis, growth, spectral and computational studies on aminomethylpyridinium trichloroacetate single crystal. Chinese Journal of Physics, 73. pp. 746-755. ISSN 0577-9073, DOI https://doi.org/10.1016/j.cjph.2021.08.010.
Full text not available from this repository.Abstract
The molecular compounds 2-amino-6-methylpyridine and trichloroacetic acid were synthesized in the ratio 1:1 and a single crystal aminomethylpyridinium trichloroacetate (AMPTA) was grown with the base compound 2-amino-6-methylpyridine (2AMP) as a donor and the acid compound trichloroacetic acid (TA) functions as an acceptor. The modes of vibration with the functional group was investigated from the analysis of FTIR spectroscopy. The existence of proton was prognosticated by H-1 NMR spectral analysis. The pi ->pi* transition shifted to wavelength 310 nm in UV-vis-NIR spectra confirms the emergence of the AMPTA crystal. The percentage of trans-mittance spectrum showed the suitability of the compound for non-linear optical applications. TG-DTA analysis was done to study the thermal stability and the melting point of AMPTA crystal was assessed through thermogravimetry (TG) and differential thermal analysis (DTA). The den-sity functional theoretical method (DFT) was carried out with the help of the B3LYP/3-21G(d,p) basis set, and the results were compared with the experimental values.
| Item Type: | Article |
|---|---|
| Funders: | Tamil Nadu State Council for Higher Education [Grant No: 744/2017 A], Tamil Nadu State Council for Science and Technology, Chennai, Tamil Nadu, India [Grant No: TNSCST/STP/AR/PS/2014-15] |
| Uncontrolled Keywords: | Single crystal; FTIR and 1H NMR analysis; UV-vis-NIR analysis; HOMO-LUMO and NBO analysis |
| Subjects: | Q Science > QC Physics |
| Divisions: | Nanotechnology & Catalysis Research Centre |
| Depositing User: | Ms Zaharah Ramly |
| Date Deposited: | 13 Jul 2022 03:17 |
| Last Modified: | 13 Jul 2022 03:17 |
| URI: | http://eprints.um.edu.my/id/eprint/28125 |
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