@inbook{5aa068c4fbca4cffade7767243a3ca4a,
title = "Pseudo-Jahn-Teller Origin of the Metastable States in Sodium Nitroprusside",
abstract = "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.",
author = "E. Coronado and S. Klokishner and O. Reu and B. Tsukerblat",
note = "Funding Information: Financial support from the European Network on Molecular Nanomagnets, INTAS (Project 2000-0651), the Spanish Miniterio de Ciencia y Tecnolog{\'ı}a (Grant MAT 2001-3507), the Generalidad Valenciana (Grant GV01-312) and the Supreme Council on Science and Technological Development of Moldova (Grant N111) is highly appreciated. B. S. T. thanks the Spanish Ministerio de Educaci{\'o}n, Cultura y Deporte for a visiting Professor grant. We thank Mihail Atanasov for the preprint of the paper [17] and fruitful discussion.",
year = "2003",
month = jan,
day = "1",
doi = "10.1016/S0065-3276(03)44028-8",
language = "English",
isbn = "0120348446",
series = "Advances in Quantum Chemistry",
publisher = "Academic Press Inc.",
pages = "429--444",
booktitle = "Advances in Quantum Chemistry",
address = "United States",
}