Structural and spectroscopic studies of chloroacetone and its molecular ion

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  • Presentation type: Exposição de Pôster
  • Track: Química Teórica - TEO
  • Keywords: ab initio; Chloroacetone; Spectroscopic properties; structure; Theoretical Calculations;

Authors:

  • 1 Universidade Federal do ABC
  • 2 Universidade Federal do ABC (UFABC)

Structural and spectroscopic studies of chloroacetone and its molecular ion

Diego de Oliveira Rogério

Universidade Federal do ABC

Abstract

A theoretical study on the structures of the chloroacetone molecule and cation has been performed. Properties, such as IR spectra and ionization potential are in good agreement with experimental data.

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