title: Infrared evidence of NO linkage photoisomerization in Na2[Fe(CN)5NO].2H2O at low temperature: experimental and theoretical (DFT) isotopic shifts from 15n(O), 18O and 54Fe species.
abstract: Infrared spectra of the metastable state I (MSI) of normal and 15NO, N18O and 54Fe isotopically substituted sodium nitroprusside dihydrate (Na2[Fe(CN)5NO].2H2O) have been obtained at 77 K. A comparison of the isotopic shifts measured for the vibrational modes of the FeXY (XY = NO or ON) moiety with those calculated by means of quantum chemistry (DFT) procedures supports the linear Fe-O = N arrangement for the MSI state.
authors.affiliation: CEQUINOR, CONICET- UNLP, Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Argentina.
authors.forename: M E
authors.initials: ME
authors.lastname: Chacón Villalba
authors.forename: J A
authors.initials: JA
authors.lastname: Güida
authors.forename: E L
authors.initials: EL
authors.lastname: Varetti
authors.forename: P J
authors.initials: PJ
authors.lastname: Aymonino
mesh_terms: D007202:Indicators and Reagents / Q000737:chemistry; D007503:Iron Isotopes; D009569:Nitric Oxide / Q000737:chemistry*; D009587:Nitrogen Isotopes; D009599:Nitroprusside / Q000737:chemistry*; D010103:Oxygen Isotopes; D017550:Spectroscopy, Fourier Transform Infrared; D013696:Temperature; D014732:Vibration
chemical_list: D007202:Indicators and Reagents; D007503:Iron Isotopes; D009587:Nitrogen Isotopes; D010103:Oxygen Isotopes; D009599:Nitroprusside; D009569:Nitric Oxide