Renuga Devi TS1, Sharmi kumar J2, Ramkumaar GR3.
Spectrochim Acta A Mol Biomol Spectrosc. 2014 Dec 10;133:214-22. doi: 10.1016/j.saa.2014.04.152. Epub 2014 May 15.The FTIR and FT-Raman spectra of 2-amino-2-methyl-1,3-propanediol were recorded in the regions 4000-400cm(-1) and 4000-50cm(-1) respectively. The structural and spectroscopic data of the molecule in the ground state were calculated using Hartee-Fock and density functional method (B3LYP) with the augmented-correlation consistent-polarized valence double zeta (aug-cc-pVDZ) basis set. The most stable conformer was optimized and the structural and vibrational parameters were determined based on this. Read More