Jahn-Teller distortions in the photodetachment spectrum of PtCl6(2-): a four-component relativistic study.

@article{Pernpointner2009JahnTellerDI,
  title={Jahn-Teller distortions in the photodetachment spectrum of PtCl6(2-): a four-component relativistic study.},
  author={Markus Pernpointner and Thomas Rapps and Lorenz S. Cederbaum},
  journal={The Journal of chemical physics},
  year={2009},
  volume={131 4},
  pages={044322}
}
In this work the mutual influence of Jahn-Teller (JT) and spin-orbit effects on the photoelectron spectrum of PtCl(6)(2-) is analyzed. For this purpose potential energy surfaces of PtCl(6)(-) along the JT active modes are calculated in the four-component Dirac-Coulomb (DC) framework and the possible JT stabilizations are determined. For the relativistic… CONTINUE READING