Thermodynamic functions with other properties and vibrational spectra of pyrimidine ring of uracil for RNA and bio-molecule 5-aminouracil

Abstract

Vibrational spectra (Infra Red and Raman) of uracil and 5-aminouracil have been recorded as well as reproduced in solid phase for the pyrimidinal region (200-2000 cm−1) and the internal modes were analyzed especially for pyrimidine ring of bio-molecules theoretically by using the density functional theory (DFT) calculations on the different basis sets for Restricted Hartree–Fock (RHF) by employing the Gaussian-03 program. These quantum chemical calculations have been employed to yield the Mulliken atomic charges, atomic polarizability tensor (APT) charges and thermodynamic functional properties of these bio-molecules. These DFT calculations have been computed for the some important internal ring modes especially to pyrimidine ring of uracil with a substituent amino-group (NH2) at site of C5 atom on pyrimidine ring.

Synthesis, Characterization Of Thiazolidin-4-one, Oxazolidin-4-one And Imidazolidin-4-one Derivatives From 6-Amino-1, 3-dimethyluraciland Evaluation Of Their Antioxidant And Antimicrobial Agent

“…Uracil and its derivatives are one of the most an important class of compounds because these molecules can act as both nucleophiles and electrophiles (Singh, 2019). Uracil's estimated that deamination of cytosine leads to up to 500 uracil residues in a single human cell each day, Besides uracil displays as antihyperthermophilic (Shi et al, 2019).…”