Photodissociation spectroscopy of the anionic copper nitrate association complex Cu(NO3)3(-)

J Phys Chem A. 2014 Oct 16;118(41):9687-91. doi: 10.1021/jp508207f. Epub 2014 Oct 3.

Abstract

We report the UV photodissociation spectrum of mass-selected Cu(NO3)(3)(-) ions at photon energies between 3.0 and 5.6 eV. Upon photon absorption, Cu(NO3)(3)(-) undergoes reductive dissociation losing neutral NO3 and resulting in the formation of Cu(NO3)(2)(-). The experimental results are discussed and interpreted with the aid of quantum-chemical calculations. The parent ion is calculated to have C2 symmetry with a strongly distorted octahedral coordination around the Cu ion. Time-dependent density functional theory is used to describe the accessible electronic transitions, which can be characterized as ligand-to-metal charge transfer transitions from the nitrate ligands to the copper ion.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Anions / chemistry
  • Copper / chemistry*
  • Models, Chemical
  • Nitrates / chemistry*
  • Photons
  • Quantum Theory
  • Spectrum Analysis

Substances

  • Anions
  • Nitrates
  • Copper
  • copper(II) nitrate