FT-Raman and FT-IR spectra of 5-methyl-2-(p-fluorophenyl)benzoxazole were recorded and analysed. The vibrational frequencies of the compound have been computed using the Hartree-Fock/6-31G* basis and compared with the experimental values.

The number of biological/biomedical applications that require AMS to achieve their goals is increasing, and so is the need for a better understanding of the physical, morphological, and structural traits of high quality of AMS targets. The metrics of quality included color, hardness/texture, and appearance (photo and SEM), along with FT-IR, Raman, and powder X-ray diffraction spectra that corre...

FT-IR and Raman scattering spectra of cefuroxime axetil were proposed for identification studies of its crystalline and amorphous forms. An analysis of experimental spectra was supported by quantum-chemical calculations performed with the use of B3LYP functional and 6-31G(d,p) as a basis set. The geometric structure of a cefuroxime axetil molecule, HOMO and LUMO orbitals, and molecular electros...

The FTIR and FT-Raman spectra of 3-methyl-4-nitrophenol (MNP) have been recorded in the regions 4000-400 cm and 3500-50 cm, respectively. Utilizing the observed FTIR and FT-Raman data, a complete vibrational assignment and analysis of the fundamental modes of the compound have been carried out. The optimum molecular geometry, harmonic vibrational frequencies, infrared intensities and Raman scat...

Benzene and methanol make a minimum boiling point homogeneous binary azeotrope with the mole ratio 2:3. Some characteristic vibrational modes, as well as (1)H NMR signals change due to the azeotrope formation. The extend of interaction of these molecules causes significant changes on some vibrational modes involved, and (1)H NMR signals show some changes on their position. No IR, Raman, and NMR...

Single crystal dixanthinium tetrachlorozincate has been grown from dilute chloridric acid. Polarized Raman spectrum of the single crystalline sample, FT-Raman and FT-IR spectra of the polycrystalline samples have been examined and the bands assigned to the appropriate modes predicted by a factor group analysis for the space group Pmn21. The crystal structure has been confirmed by powder XRD mea...

Fourier transform infrared and Raman spectra of poly vinyl acetate and its deuterated derivative were recorded and observed frequencies were assigned to various mode of vibration in terms of fundamentals and combinations by assuming Cs point group symmetry. A normal coordinate analysis was also carried out using simple valence force field. A complete vibrational analysis is presented here for t...

Turmeric powder (Curcuma longa L.) is valued both for its medicinal properties and for its popular culinary use, such as being a component in curry powder. Due to its high demand in international trade, turmeric powder has been subject to economically driven, hazardous chemical adulteration. This study utilized Fourier Transform-Raman (FT-Raman) and Fourier Transform-Infra Red (FT-IR) spectrosc...

The molecular vibrations of 1-Naphtol were investigated in polycrystalline sample, at room temperature, by FTIR and FT-Raman spectroscopy. In parallel, ab initio and various density functional (DFT) methods were used to determine the geometrical, energetic and vibrational characteristics of 1-Naphtol . On the basis of B3LYP/6-31G* and B3LYP/6-311+G** methods and basis set combinations, a normal...