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  • The Structure of the FeNO Group in Two Metastable States (MS1 andMS2) of the Nitroprusside Anion in Na2[Fe(CN)5NO]·2H2O. InfraredSpectra and Quantum Chemistry Calculations for the Normal and the15NO and N18O Isotopic Substituted Substance
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  • Low temperature infrared spectra of light induced metastable states MS1 and MS2 of the nitroprusside anion in Na2[Fe(CN)5NO]·2H2O, isotopically normal and substituted with 15NO and N18O, are presented and discussed. The comparison of the spectral data obtained for the FeNO moiety of the anion isotopomers with the results of quantum chemical (DFT) calculations support the assignment of the bands which appear after successive irradiations to MS1, the linear Fe(η1-ON) linkage isomer, and to MS2, the side-bound Fe(η2-NO) isomer.
  • Low temperature infrared spectra of light induced metastable states MS1 and MS2 of the nitroprusside anion inNa2[Fe(CN)5NO]·2H2O, isotopically normal and substituted with 15NO and N18O, are presented and discussed. Asa consequence of the relatively high population of the MS2 state achieved by further irradiation with 1064 nm lightof samples previously irradiated with 488.0 nm light, new bands were seen for the first time, and others, previouslyreported, were confirmed. The comparison of the spectral data obtained for the FeNO moiety of the isotopicallynormal as well as of the 15NO and N18O substituted anion with the results of quantum chemical (DFT) calculationssupport the assignment of the bands which appear after successive irradiations to MS1, the linear Fe(η1-ON)linkage isomer, and to MS2, the side-bound Fe(η2-NO) isomer.
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