Normal Raman (nr) and Fourier Transform Infrared (ftir) Spectra of 4, 5 Dicianoimidazole Molecule and Their Vibrational Assignments
Year: 2026
Type: article
Abstract: The Normal Raman spectra (NRS) and Fourier Transform Infrared (FTIR) spectra of 4, 5 Dicianoimidazole molecule molecule recorded in different environmental conditions.The optimized molecular structures of the most probable neutral, protonated and de-protonated forms of the molecule have been estimated from the density functional theory (DFT) calculations.The vibrational signatures of the molecule have been assigned from the potential energy distributions (PEDs).The quantitative measure of the relative population of the various forms of the molecule in the solid state and in ACN solvent has been estimated.
Author: Subhendu Chandra
Language: English
Subfield: Biophysics
Domain: Life Sciences
Open Access status: gold
OpenAlex ID: W7225732453