FT-IR and FT-Raman Spectral Investigation and DFT Computations of Pharmaceutical Important Molecule: Ethyl 2-(4-Benzoyl-2,5- Dimethylphenoxy) Acetate
نویسندگان
چکیده
منابع مشابه
Experimental Spectroscopic (FT-IR, FT-Raman, NMR) and DFT Studies of 7-methoxy-4-bromomethylcoumarin
The vibrational fundamental modes of 7-methoxy4-bromomethylcoumarin (7BMC) have been analyzed by combining FTIR, FT-Raman and quantum chemical calculations. The structural parameters of the compound are determined from the optimized geometry by B3LYP method with 6-311++G (d, p) basis set. The harmonic vibrational frequencies were calculated and the scaled values have been compared with experime...
متن کامل2 Ft - Ir and Ft - Raman Spectra , Vibrational Assignments , Ab Initio and Dft Analysis of , - Dichlorotoluene
Toluene, also known as methylbenzene or phenylmethane, is a clear, waterinsoluble liquid with the typical smell of paint thinners, redolent of the sweet smell of the related compound benzene. It is an aromatic hydrocarbon that is widely used as an industrial feedstock and as a solvent. Like other solvents, toluene is also used as an inhalant drug for its intoxicating properties [1,2]. Toluene r...
متن کاملFT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 2-nitro- and 4-nitrobenzaldehydes
Combined experimental and theoretical studies on molecular and vibrational structure of 2-nitrobenzaldehyde and 4-nitrobenzaldehydes are reported. The Fourier transform infrared and Fourier transform Raman spectra of 2NB and 4NB has been recorded in the solid phase. The optimized geometry has been calculated by HF and B3LYP methods with 6-311++G(d,p) basis set. The harmonic vibrational frequenc...
متن کاملStructural Analysis of Hirudin Using FT-IR and FT-Raman Spectroscopic Techniques
FT-IR and FT-Raman spectra of hirudin have been recorded from the native solid hirudin. The conformation of the molecule has been discussed on the basis of IR and Raman data. It has been concluded that hirudin molecule has a mixed a-helix and random coil conformation.
متن کاملFT-IR, FT-Raman And UV Spectra and Ab-Initio HF and DFT Vibrational Study of 1-Propyl 4-Piperidone
The Fourier transform infrared spectra (FT-IR) and Fourier transform Raman spectra (FT Raman) of The 1-Propyl 4-Piperidone have been recorded in the regions 4000-400, 4000-100 cm -1 . The ultraviolet spectra (UV) spectra of the title molecule in the region 800-200 cm -1 . Utilizing the observed FT-IR and FT Raman spectra data, a complete vibrational assignments and analysis of the fundamental m...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Pharmaceutica Analytica Acta
سال: 2015
ISSN: 2153-2435
DOI: 10.4172/2153-2435.1000457