Abstract-Terahertz Spectroscopy and Density Functional Theory Investigation of the Dipeptide L-Carnosine

Jens Neu, Charles A. Schmuttenmaer

https://link.springer.com/article/10.1007/s10762-019-00636-7

Terahertz spectroscopy and density functional theory (DFT) calculations have been used to study the dipeptide L-carnosine. In this paper, we expand the range of materials described with THz measurements and DFT calculations from amino acids to dipeptides. Three clear resonances were detected in the experimental spectrum at 1.5 THz, 1.9 THz, and 2.3 THz. Additionally, we performed periodic boundary condition DFT calculations. The computational spectrum accurately reproduces the experimental one.