Literature DB >> 20379507

Jet-cooled spectroscopy of paracetamol.

Joseph M Beames1, Andrew J Hudson.   

Abstract

We have measured the resonant 2-photon ionization spectrum of jet-cooled p-acetaminophenol (paracetamol) between 33,400 cm(-1) and 45,500 cm(-1), and analysed the results in the light of theoretical calculations of the ground-state geometry and vibrational frequencies. The experimental spectrum consists of a large number of clearly resolved vibronic transitions, and some evidence of rotational structure. It is dominated by a repeated progression with a regular spacing of 33 cm(-1) (believed to be the methyl-torsion mode) in combination with normal modes of vibration which involve the stretching of the C-C bonds in the phenyl ring and bending of the C-N-C bond in the amide group. The intensity pattern of the progressions in the methyl torsion is consistent with structural changes between the minimum-energy geometries in the ground and excited states.

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Year:  2010        PMID: 20379507     DOI: 10.1039/b923202h

Source DB:  PubMed          Journal:  Phys Chem Chem Phys        ISSN: 1463-9076            Impact factor:   3.676


  2 in total

1.  A DFT study of the interaction of aspirin, paracetamol and caffeine with one water molecule.

Authors:  Constantinos D Zeinalipour-Yazdi
Journal:  J Mol Model       Date:  2022-09-02       Impact factor: 2.172

2.  Surface Mediated Structures: Stabilization of Metastable Polymorphs on the Example of Paracetamol.

Authors:  Heike M A Ehmann; Oliver Werzer
Journal:  Cryst Growth Des       Date:  2014-07-07       Impact factor: 4.076

  2 in total

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