Vibrational spectral studies and non-linear optical properties of l-leucine l-leucinium picrate: A Density Functional Theory approach

- A detailed interpretation of Infrared and Raman spectra of LLLLP were reported.
- Nonlinear optical properties of LLLLP were studied using DFT calculations.
- HOMO-LUMO energy gap explains the charge transfer interactions in the molecule.
- Stability of the molecule has been analyzed using NBO analysis.