Literature DB >> 26291109

Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid-Formic Acid Bimolecule.

Luca Evangelisti1,2, Patricia Écija1, Emilio J Cocinero1, Fernando Castaño1, Alberto Lesarri3, Walther Caminati2, Rolf Meyer4.   

Abstract

Tunneling effects have been measured in the pulsed jet Fourier transform microwave spectra of two isotopologues of the benzoic acid-formic acid bimolecule. The tunneling splittings are originated by the concerted proton transfer of the two carboxylic hydrogens. From the values of these splittings for the OH-OH and OD-OD species, it has been possible to model/size the barrier to the concerted double proton transfer.

Entities:  

Keywords:  concerted proton transfer; hetero dimers; hydrogen bonding; pulsed jets; rotational spectroscopy

Year:  2012        PMID： 26291109     DOI： 10.1021/jz3018489

Source DB:  PubMed          Journal:  J Phys Chem Lett        ISSN： 1948-7185            Impact factor:   6.475


  2 in total

1.  H/D Isotope Effects on 1H-NMR Chemical Shifts in Cyclic Heterodimers and Heterotrimers of Phosphinic and Phosphoric Acids.

Authors:  Valeriia V Mulloyarova; Daria O Ustimchuk; Aleksander Filarowski; Peter M Tolstoy
Journal:  Molecules       Date:  2020-04-20       Impact factor: 4.411

2.  Double Proton Transfer in the Dimer of Formic Acid: An Efficient Quantum Mechanical Scheme.

Authors:  Hao Liu; Jianwei Cao; Wensheng Bian
Journal:  Front Chem       Date:  2019-10-23       Impact factor: 5.221
  2 in total

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