IR, Raman spectra, DFT calculations, non-covalent interactions, and electronic properties of L-glutamic acid

Annotatsiya

In this work, the internal interactions of L-glutamic acid in the monomer state were studied. The intramolecular interaction was analysed using DFT on the B3LYP/6311++G(d,p) basis set. L-glutamic acid's Raman and IR spectra were simulated. Using non-covalent (ELF, and LOL) interactions at the crucial locations of connections were investigated. HUMO, LUMO, and MEP analyses have been used in the study of the electronic properties of L-glutamic acid. Using the Gaussian 09 set of quantum chemistry codes, the vibrational wavenumbers and related vibrational assignments are analyzed theoretically.