Synthesis, growth, spectral and computational studies on aminomethylpyridinium trichloroacetate single crystal

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 1H NMR spectral analysis. The π→π∗ transition shifted to wavelength 310 nm in UV–vis-NIR spectra confirms the emergence of the AMPTA crystal. The percentage of transmittance 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 density 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.