A pseudo-Jahn-Teller model of the photochromic effect in sodium nitroprusside

E. Coronado, S. Klokishner, O. Reu, B. Tsukerblat

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


A new model for the photochromic effect in sodium nitroprusside Na2[Fe(CN)5(NO)]·2H2O based on the concept of the pseudo-Jahn-Teller effect is proposed. The model takes into account the electron transfer from the Fe2+ ion to the π* orbitals of the NO-ligand as well as the vibronic mixing of three electronic states of the Fe-NO fragment through the non-symmetric and full-symmetric modes. The problem is solved within the adiabatic approximation. Under certain conditions the lower sheet of the adiabatic potential is shown to possess three minima with the increasing energies that correspond to the N-bound, sideways bound and O-bound NO group. The barriers between the minima are estimated and the excited minima are attributed to the MS2 and MS1 metastable states observed experimentally.

Original languageEnglish
Pages (from-to)2527-2535
Number of pages9
Issue number14-17
StatePublished - 15 Jul 2003


  • Electron transfer
  • Metastable states
  • Photochromic effect
  • Pseudo-Jahn-Teller effect

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


Dive into the research topics of 'A pseudo-Jahn-Teller model of the photochromic effect in sodium nitroprusside'. Together they form a unique fingerprint.

Cite this