Related Experiment Video
Updated: Jun 27, 2026
10:04
Flame Experiments at the Advanced Light Source: New Insights into Soot Formation Processes
Published on: May 26, 2014
Vibrational spectroscopic study of fluticasone propionate
H R H Ali1, H G M Edwards, J Kendrick
1School of Life Sciences, University of Bradford, Bradford, BD7 1DP, UK.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|December 20, 2008
Summary
This study used computational methods to analyze fluticasone propionate, a key asthma medication. The findings provide a detailed molecular understanding to help monitor its production process.
Area of Science:
- Computational Chemistry
- Spectroscopy
- Materials Science
Background:
- Fluticasone propionate is a potent synthetic glucocorticoid widely used for chronic asthma treatment.
- Understanding its molecular properties is crucial for effective drug manufacturing and quality control.
Purpose of the Study:
- To perform a comprehensive vibrational spectroscopic analysis of fluticasone propionate.
- To assign molecular vibrations using advanced computational techniques.
- To generate data for improved process monitoring in fluticasone propionate production.
Main Methods:
- Ab initio calculations utilizing BLYP density functional theory with a 6-31G* basis set.
- Prediction of vibrational frequencies within the quasi-harmonic approximation.
- Analysis of spectral features and band intensities.
Main Results:
- Proposed molecular assignments for the vibrational spectra of fluticasone propionate.
- Detailed explanation of observed spectral features and their corresponding band intensities.
- Creation of a valuable dataset for fluticasone propionate characterization.
Conclusions:
- The study successfully assigned molecular vibrations for fluticasone propionate using computational methods.
- The generated spectral library offers a foundation for enhanced process monitoring and quality assurance.
- This research contributes to a deeper understanding of fluticasone propionate's molecular behavior.
More Related Videos
Related Concept Videos
01:29IR and UV–Vis Spectroscopy of Aldehydes and Ketones
Infrared spectroscopy, also known as vibrational spectroscopy, is mainly used to determine the types of bonds and functional groups in molecules. In aldehydes and ketones, the carbonyl (C=O) bond shows an absorption around 1710 cm-1. The C=O bond vibration of an aldehyde occurs at lower frequencies than that of a ketone. In addition to the C=O absorption in an aldehyde, the aldehydic C–H bond also gives two peaks in the 2700–2800 cm-1 range. This absorption, coupled with the C=O stretching, is...
01:16IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
A covalently bonded heteronuclear diatomic molecule can be modeled as two vibrating masses connected by a spring. The vibrational frequency of the bond can be expressed using an equation derived from Hooke's law, which describes how the force applied to stretch or compress a spring is proportional to the displacement of the spring. In this case, the atoms behave like masses, and the bond acts like a spring.
According to Hooke's law, the vibrational frequency is directly proportional to the...
According to Hooke's law, the vibrational frequency is directly proportional to the...
01:24IR Spectroscopy: Molecular Vibration Overview
When Infrared (IR) radiation passes through a covalently bonded molecule, the bonds transition from lower to higher vibrational levels. The fundamental vibrational motions that result in infrared absorption can be classified as stretching or bending vibrations.
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
Stretching vibrations are vibrational motions that occur along the bond line, changing the bond length or distance between two bonded atoms. They are further distinguished as symmetric or asymmetric. In symmetric stretching, the...
01:26Spectroscopy of Carboxylic Acid Derivatives
Infrared spectroscopy is primarily used to determine the types of bonds and functional groups. In carboxylic acid derivatives, a typical carbonyl bond absorption is observed around 1650–1850 cm−1. For esters, the absorption is recorded at around 1740 cm−1, while acid halides show the absorption at about 1800 cm−1. Another acid derivative, the acid anhydrides, exhibit two carbonyl absorption around 1760 cm−1 and 1820 cm−1, arising from the symmetrical and unsymmetrical carbonyl vibration.
In the...
In the...
01:03IR Frequency Region: Fingerprint Region
IR spectra are divided into two main regions: the diagnostic region and the fingerprint region. The diagnostic region of the spectrum lies above 1500 cm−1. The absorptions resulting from single-bond vibrations of the N–H, C–H, and O–H stretch at higher wavenumbers and appear on the left side of the spectrum. The stretching absorptions of the C≡C and C≡N occur between 2100–2300 cm−1. In contrast, those arising from stretching absorptions of the C=O, C=N, and C=C occur between 1600–1850 cm−1.
The...
The...
01:14NMR Spectroscopy of Aromatic Compounds
Aromatic compounds can be identified or analyzed using proton NMR and carbon‐13 NMR. Typically, aromatic hydrogens or hydrogens directly bonded to the aromatic rings are strongly deshielded by the aromatic ring current. Therefore, they absorb in the range of 6.5–8.0 ppm in proton NMR spectra. For instance, aromatic hydrogens directly bonded to the benzene ring absorb at 7.3 ppm. However, aromatic hydrogens of larger rings absorb farther upfield or downfield than the ideal range. Consider...