Literature DB >> 19421547

High-resolution infrared absorption spectroscopy of thermally excited naphthalene. Measurements and calculations of anharmonic parameters and vibrational interactions.

O Pirali1, M Vervloet, G Mulas, G Malloci, C Joblin.   

Abstract

We report in this paper the recording and analysis of the vibrational spectrum of naphthalene in the 1.6-200 microm (50-6000 cm(-1)) spectral range with a resolution of 0.005 cm(-1). The spectrum, recorded at room temperature, shows several complex structures in the Q branches of the c-type bands, which can be assigned to hot-band sequences as well as combination bands and overtones. To analyse the experimental data, we developed a model based on anharmonic calculations which predicts the transitions (positions and intensities) involving the vibrational levels populated at room temperature. This work permits us to estimate the validity and limitations of our calculations, which can be used to predict the band profiles of naphthalene (and larger PAHs) at various temperatures, with potential astrophysical applications.

Entities:  

Year:  2009        PMID: 19421547     DOI: 10.1039/b814037e

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


  6 in total

1.  Photochemistry of coronene in cosmic water ice analogs at different concentrations.

Authors:  A L F de Barros; A L Mattioda; A Ricca; G Cruz; L J Allamandola
Journal:  Astrophys J       Date:  2017-10-20       Impact factor: 5.874

2.  Anharmonic Infrared Spectra of Thermally Excited Pyrene (C16H10): A Combined View of DFT-Based GVPT2 with AnharmonicCaOs, and Approximate DFT Molecular dynamics with DemonNano.

Authors:  Shubhadip Chakraborty; Giacomo Mulas; Mathias Rapacioli; Christine Joblin
Journal:  J Mol Spectrosc       Date:  2021-04-16       Impact factor: 1.507

3.  Infrared Spectroscopy of Matrix-Isolated Neutral and Ionized Anthracoronene in Argon.

Authors:  A L F de Barros; A L Mattioda; J M Korsmeyer; A Ricca
Journal:  J Phys Chem A       Date:  2018-02-27       Impact factor: 2.781

4.  Experimental Approach to the Study of Anharmonicity in the Infrared Spectrum of Pyrene from 14 to 723 K.

Authors:  Shubhadip Chakraborty; Giacomo Mulas; Karine Demyk; Christine Joblin
Journal:  J Phys Chem A       Date:  2019-05-02       Impact factor: 2.781

5.  Anharmonic vibrational spectroscopy of polycyclic aromatic hydrocarbons (PAHs).

Authors:  Giacomo Mulas; Cyril Falvo; Patrick Cassam-Chenaï; Christine Joblin
Journal:  J Chem Phys       Date:  2018-10-14       Impact factor: 3.488

6.  Infrared Spectroscopy and Photochemistry of Anthracoronene in Cosmic Water Ice.

Authors:  Julie M Korsmeyer; Alessandra Ricca; Gustavo A Cruz-Diaz; Joseph E Roser; Andrew L Mattioda
Journal:  ACS Earth Space Chem       Date:  2022-01-09       Impact factor: 3.475

  6 in total

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