Search results for: c6cl6

• Anionic states of C6Cl6 probed in electron transfer experiments

  Publication

  • S. Kumar
  • T. Kilich
  • M. Łabuda
  • G. García
  • P. Limão-Vieira

  - PHYSICAL CHEMISTRY CHEMICAL PHYSICS - Year 2022

  This is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...

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• Molecular geometry of hexachlorobenzene

  Open Research Data

  open access

  • T. Kilich
  • M. Łabuda

  Presented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.