Infrared spectra of gas-phase V(+)-(benzene) and V(+)-(benzene)(2) complexes

J Am Chem Soc. 2002 Feb 27;124(8):1562-3. doi: 10.1021/ja0175340.

Abstract

The organometallic ions V+-(benzene) and V+-(benzene)2 are produced by laser vaporization in a pulsed nozzle source. They are trapped and mass selected in an ion-trap/time-of-flight mass spectrometer, and their infrared spectra are measured with resonance-enhanced multiphoton photodissociation (IR-REMPD) spectroscopy with a tunable free-electron laser. Vibrational bands in the 600-1800 cm-1 region are characteristic of the benzene molecular moiety perturbed by the metal cation bonding. Experimental data are compared to the IR spectra derived from density functional calculations. Vibrational patterns in V+-(C6H6) indicate that the metal is bound in an eta6 pi-bonding configuration, while V+-(C6H6)2 is a sandwich. Trapped-ion IR-REMPD is a general method to access the vibrational spectroscopy of organometallic ions and their clusters.

Publication types

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

MeSH terms

  • Benzene Derivatives / chemistry*
  • Organometallic Compounds / chemistry*
  • Spectrophotometry, Infrared / methods
  • Vanadium / chemistry*

Substances

  • Benzene Derivatives
  • Organometallic Compounds
  • Vanadium