Literature DB >> 17439111

The structure of uracil: a laser ablation rotational study.

Vanesa Vaquero1, M Eugenia Sanz, Juan C López, José L Alonso.   

Abstract

The jet-cooled rotational spectrum of uracil has been investigated using laser ablation molecular beam Fourier transform microwave (LA-MB-FTMW) spectroscopy. The quadrupole structure originated by the two 14N nuclei of uracil has been completely resolved and assigned. This provides a definitive method to establish the pyrrolic or pyrimidinic nature of the N nuclei and allows us to conclude that the observed tautomer of uracil in the gas phase is the diketo form. From the rotational constants of the isotopic species detected, a structure of uracil has been determined.

Entities:  

Year:  2007        PMID： 17439111     DOI： 10.1021/jp071642c

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN： 1089-5639            Impact factor:   2.781


  5 in total

1.  Gas-phase interactions between lead(II) ions and thiouracil nucleobases: a combined experimental and theoretical study.

Authors:  Jean-Yves Salpin; Sébastien Guillaumont; Jeanine Tortajada; Al Mokhtar Lamsabhi
Journal:  J Am Soc Mass Spectrom       Date:  2008-10-30       Impact factor: 3.109

2.  Assessment of Electron Propagator Methods for the Simulation of Vibrationally Resolved Valence and Core Photoionization Spectra.

Authors:  A Baiardi; L Paoloni; V Barone; V G Zakrzewski; J V Ortiz
Journal:  J Chem Theory Comput       Date:  2017-06-09       Impact factor: 6.006

3.  Accurate molecular structure and spectroscopic properties of nucleobases: a combined computational-microwave investigation of 2-thiouracil as a case study.

Authors:  Cristina Puzzarini; Malgorzata Biczysko; Vincenzo Barone; Isabel Peña; Carlos Cabezas; José L Alonso
Journal:  Phys Chem Chem Phys       Date:  2013-09-04       Impact factor: 3.676

4.  The nucleoside uridine isolated in the gas phase.

Authors:  Isabel Peña; Carlos Cabezas; José L Alonso
Journal:  Angew Chem Int Ed Engl       Date:  2015-02-12       Impact factor: 15.336

5.  Rotational spectrum and internal dynamics of the hydrogen-bonded pyrrole-pyridine aromatic pair.

Authors:  Carlos Cabezas; Isabel Peña; Walther Caminati
Journal:  Spectrochim Acta A Mol Biomol Spectrosc       Date:  2020-12-15       Impact factor: 4.098
  5 in total

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