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Comment on: "FTIR, FT-Raman, scaled quantum chemical studies of the structure and vibrational spectra of 1,5-dinitronaphthalene" by Arivazhaga et al. [Spectrochim. Acta A72 (2009) 941-946].

PubMed

Authors: Tomkinson J

Year

2010

Paper ID

12380

Status

Peer-reviewed

Abstract Read

~2 min

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Abstract

The title paper [1] reports ab initio calculations of the structure and molecular vibrations of 1,5-dinitronaphthalene. The calculations are unminimised, the molecular structure is wrong and the vibrational spectra are misinterpreted. These errors have been corrected and the vibrational spectra of 1,5-dinitronaphthalene have been reassigned in agreement with the optical and neutron spectroscopic data.

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The title paper [1] reports ab initio calculations of the structure and molecular vibrations of 1,5-dinitronaphthalene.

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References & Citation Signals

[1] DOI https://doi.org/10.1016/j.saa.2009.12.028 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/20129813/

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