Homogeneous decomposition mechanisms of diethylzinc by Raman spectroscopy and quantum chemical calculations.

@article{Kim2008HomogeneousDM,
  title={Homogeneous decomposition mechanisms of diethylzinc by Raman spectroscopy and quantum chemical calculations.},
  author={Y. Kim and Y. Won and Helena E. Hagelin-Weaver and N. Omenetto and T. Anderson},
  journal={The journal of physical chemistry. A},
  year={2008},
  volume={112 18},
  pages={
          4246-53
        }
}
The gas-phase decomposition pathways of diethylzinc (DEZn), a common precursor for deposition of Zn-VI compounds, were investigated in detail. The homogeneous thermal decomposition of DEZn in N2 carrier was followed in an impinging-jet, up-flow reactor by Raman scattering. Density Functional Theory calculations were performed to describe the bond dissociation behavior using the model chemistry B3LYP/6-311G(d) to estimate optimal geometries and Raman active vibrational frequencies of DEZn, as… Expand
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