A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO x.

@article{Kubas2017ACE,
  title={A combined experimental and theoretical spectroscopic protocol for determination of the structure of heterogeneous catalysts: developing the information content of the resonance Raman spectra of M1 MoVO x.},
  author={Adam M Kubas and Johannes Noak and Annette Trunschke and Robert Schloegl and Frank Neese and Dimitrios Maganas},
  journal={Chemical science},
  year={2017},
  volume={8 9},
  pages={6338-6353}
}
Absorption and multiwavelength resonance Raman spectroscopy are widely used to investigate the electronic structure of transition metal centers in coordination compounds and extended solid systems. In combination with computational methodologies that have predictive accuracy, they define powerful protocols to study the spectroscopic response of catalytic… CONTINUE READING