Ca2+ Reactivity in the Gas Phase. Bonding, Catalytic Effects and Coulomb Explosions

Inés Corral, Cristina Trujillo, Jean Yves Salpin, Manuel Yáñez*

*Corresponding author for this work

Research output: Chapter in Book/Conference proceedingChapterpeer-review

Abstract

In this chapter we present an overview of what is known today about the reactivity of Ca2+ with different species, both from the theoretical and the experimental points of view. We have paid particular attention to the bonding characteristics of Ca2+ complexes and to the electron density re-distribution undergone by the neutral interacting with this doubly charged metal, due to the quite intense electric field around it, which results sometimes in, dramatic polarization effects. Another important question is related with the stability of Ca2+ complexes in the gas phase, in clear contrast with the instability of analogous complexes involving other metal dications, such as Cu2+ or Pb2+, which only produce singly charged species when interacting with neutral bases. The last part of this chapter will be devoted to review the different combined experimental and theoretical studies of several reactions involving Ca2+. This survey will include a comparison of the reactivity exhibited by Ca2+ with respect to the reactivity shown by other divalent metal ions, as well as some preliminary results of the reaction of Ca2+ with uracil. Particular attention will be also paid to the catalytic effect of Ca2+ in the tautomeric process of these kinds of biochemical compounds.

Original languageEnglish
Title of host publicationKinetics and Dynamics
Subtitle of host publicationFrom Nano- to Bio-Scale
EditorsPiotr Paneth , Agnieszka Dybala-Defratyka
PublisherSpringer Berlin
Pages1-33
Number of pages33
DOIs
Publication statusPublished - 2010

Publication series

NameChallenges and Advances in Computational Chemistry and Physics
Volume12
ISSN (Print)2542-4491
ISSN (Electronic)2542-4483

Keywords

  • Alkaline-earth dications
  • Bonding
  • Catalytic effects
  • Coulomb explosions
  • Mass spectrometry
  • Reactivity
  • Theoretical calculations

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