Jump to main content
Jump to site search

Issue 12, 2016
Previous Article Next Article

Self-pairing of 1-methylthymine mediated by two and three Ag(I) ions: a gas phase study using infrared dissociation spectroscopy and density functional theory

Author affiliations

Abstract

Metal base pairs of AgI cations and 1-methylthymine (1MT) or deprotonated 1-methylthymine (1MT-H) are produced and analyzed by electrospray ionization mass spectrometry (ESI-MS). Mass-selected ions of type [Ag2(1MT)(1MT-H)]+ and [Ag3(1MT-H)2]+ are interrogated by infrared multiple-photon dissociation (IRMPD) in an ion trap in the range of 1200–3700 cm−1. Supporting spectroscopic data were obtained from the investigation of the analogous 2′-deoxy-thymidine complexes which exhibit advantageously high fragment yields. By comparison with calculated linear IR spectra (obtained by density functional theory, DFT) we assign the structures and the possible isomeric forms of these metal base pairs and their dependence on the number of mediating AgI ions. Based on the observed Ag+/1MT complexes and related polarizable continuum model DFT calculations we describe the probable formation pathways in aqueous solution. The present findings pave the way for subsequent UV investigations of the multi-metal mediated base pairs.

Graphical abstract: Self-pairing of 1-methylthymine mediated by two and three Ag(i) ions: a gas phase study using infrared dissociation spectroscopy and density functional theory

Back to tab navigation

Supplementary files

Publication details

The article was received on 16 Nov 2015, accepted on 12 Feb 2016 and first published on 16 Feb 2016


Article type: Paper
DOI: 10.1039/C5CP07016C
Citation: Phys. Chem. Chem. Phys., 2016,18, 8491-8501
  • Open access: Creative Commons BY license
  •   Request permissions

    Self-pairing of 1-methylthymine mediated by two and three Ag(I) ions: a gas phase study using infrared dissociation spectroscopy and density functional theory

    Y. Nosenko, C. Riehn and G. Niedner-Schatteburg, Phys. Chem. Chem. Phys., 2016, 18, 8491
    DOI: 10.1039/C5CP07016C

    This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

    Reproduced material should be attributed as follows:

    • For reproduction of material from NJC:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
    • For reproduction of material from PCCP:
      [Original citation] - Published by the PCCP Owner Societies.
    • For reproduction of material from PPS:
      [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
    • For reproduction of material from all other RSC journals:
      [Original citation] - Published by The Royal Society of Chemistry.

    Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.

Search articles by author

Spotlight

Advertisements