Metastable isonitrosyl structure of the nitroprusside anion confirmed by nuclear inelastic scattering.
Nuclear inelastic scattering (NIS) measurements were performed on a guanidium nitroprusside ((CN(3)H(6))(2)[Fe(CN)(5)NO], GNP) monocrystal at 77 K after the sample was illuminated with blue light (450 nm) at 50 K to populate the two metastable states, MS(1) and MS(2), of the nitroprusside anion. A second measurement was performed at 77 K after warming up the illuminated crystal to 250 K where the metastable states decay to the groundstate. The measured spectra were compared with simulated NIS spectra that were calculated by using density functional methods. Comparison of measured and simulated spectra provides strong evidence for the isonitrosyl structure of the metastable MS(1) state proposed by Carducci et al. (Carducci, M. D.; Pressprich, M. R.; Coppens, P. J. Am. Chem. Soc. 1997, 119, 2669-2678).
Paulsen
Hauke
H
Institut für Physik, Medizinische Universität zu Lübeck, Ratzeburger Allee 160, D-23538 Lübeck, Germany.
Rusanov
Ventzislav
V
Benda
Rüdiger
R
Herta
Christian
C
Schünemann
Volker
V
Janiak
Christoph
C
Dorn
Thomas
T
Chumakov
Aleksandr I
AI
Winkler
Heiner
H
Trautwein
Alfred X
AX