Metastable isonitrosyl structure of the nitroprusside anion confirmed by nuclear inelastic scattering

Hauke Paulsen; Ventzislav Rusanov; Rüdiger Benda; Christian Herta; Volker Schünemann; Christoph Janiak; Thomas Dorn; Aleksandr I. Chumakov; Heiner Winkler; Alfred X. Trautwein

doi:10.1021/ja016239c

Metastable isonitrosyl structure of the nitroprusside anion confirmed by nuclear inelastic scattering

Hauke Paulsen, Ventzislav Rusanov, Rüdiger Benda, Christian Herta, Volker Schünemann, Christoph Janiak, Thomas Dorn, Aleksandr I. Chumakov, Heiner Winkler, Alfred X. Trautwein^*

^*Corresponding author for this work

Institute of Physics

31 Citations (Scopus)

Abstract

Nuclear inelastic scattering (NIS) measurements were performed on a guanidium nitroprusside ((CN₃H₆)₂[Fe(CN)₅NO], GNP) monocrystal at 77 K after the sample was illuminated with blue light (450 nm) at 50 K to populate the two metastable states, MS₁ and MS₂, 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 MS₁ state proposed by Carducci et al.

Original language	English
Journal	Journal of the American Chemical Society
Volume	124
Issue number	12
Pages (from-to)	3007-3011
Number of pages	5
ISSN	0002-7863
DOIs	https://doi.org/10.1021/ja016239c
Publication status	Published - 27.03.2002

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title = "Metastable isonitrosyl structure of the nitroprusside anion confirmed by nuclear inelastic scattering",

abstract = "Nuclear inelastic scattering (NIS) measurements were performed on a guanidium nitroprusside ((CN3H6)2[Fe(CN)5NO], GNP) monocrystal at 77 K after the sample was illuminated with blue light (450 nm) at 50 K to populate the two metastable states, MS1 and MS2, 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 MS1 state proposed by Carducci et al.",

author = "Hauke Paulsen and Ventzislav Rusanov and R{\"u}diger Benda and Christian Herta and Volker Sch{\"u}nemann and Christoph Janiak and Thomas Dorn and Chumakov, {Aleksandr I.} and Heiner Winkler and Trautwein, {Alfred X.}",

year = "2002",

month = mar,

day = "27",

doi = "10.1021/ja016239c",

language = "English",

volume = "124",

pages = "3007--3011",

journal = "Journal of the American Chemical Society",

issn = "0002-7863",

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T1 - Metastable isonitrosyl structure of the nitroprusside anion confirmed by nuclear inelastic scattering

AU - Paulsen, Hauke

AU - Rusanov, Ventzislav

AU - Benda, Rüdiger

AU - Herta, Christian

AU - Schünemann, Volker

AU - Janiak, Christoph

AU - Dorn, Thomas

AU - Chumakov, Aleksandr I.

AU - Winkler, Heiner

AU - Trautwein, Alfred X.

PY - 2002/3/27

Y1 - 2002/3/27

N2 - Nuclear inelastic scattering (NIS) measurements were performed on a guanidium nitroprusside ((CN3H6)2[Fe(CN)5NO], GNP) monocrystal at 77 K after the sample was illuminated with blue light (450 nm) at 50 K to populate the two metastable states, MS1 and MS2, 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 MS1 state proposed by Carducci et al.

AB - Nuclear inelastic scattering (NIS) measurements were performed on a guanidium nitroprusside ((CN3H6)2[Fe(CN)5NO], GNP) monocrystal at 77 K after the sample was illuminated with blue light (450 nm) at 50 K to populate the two metastable states, MS1 and MS2, 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 MS1 state proposed by Carducci et al.

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U2 - 10.1021/ja016239c

DO - 10.1021/ja016239c

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C2 - 11902892

AN - SCOPUS:0037181362

SN - 0002-7863

VL - 124

SP - 3007

EP - 3011

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

IS - 12

ER -

Metastable isonitrosyl structure of the nitroprusside anion confirmed by nuclear inelastic scattering

Abstract

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