Template synthesiS: Geometrical and electronic structures of the Fe nitrosyl complex formed by bis(S-methylisothiosemicarbazone)-2,4-pentandione

N. V. Gérbéléu; V. B. Arion; Yu A. Simonov; V. E. Zavodnik; K. I. Turté; S. S. Stavrov; A. A. Pasynskii; O. G. Ellert; D. I. Grédinaru; M. S. Byrke

doi:10.1007/BF01372503

Template synthesiS: Geometrical and electronic structures of the Fe nitrosyl complex formed by bis(S-methylisothiosemicarbazone)-2,4-pentandione

N. V. Gérbéléu, V. B. Arion, Yu A. Simonov, V. E. Zavodnik, K. I. Turté, S. S. Stavrov, A. A. Pasynskii, O. G. Ellert, D. I. Grédinaru, M. S. Byrke

Human Molecular Genetics Biochemistry

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Abstract

Sodium acetylacetonate reacts with S-metliylisothiosemicarbazidium nitrate and Fe(NO₃)₃ · 9H₂O in ethanol to make [Fe(HL)NO]NO₃, in which H₃L is bis(S-methyl-isothiosemicarbazone)-2,4-puntandione. The [Fe(HL)NO]⁺ cation has a square pyramidal structure with the HL^2- arranged around the central ion in the basal plane and the nitrogen atom of the NO group in the apical position, with the iron atom diverging from the plane of the base of the pyramid by 0.477 Å. The FeN0 moiety has a linear structure (∠FeNO = l72.7°). XRD, IR, and Mössbauer spectroscopy have been combined with calculations on the electronic structure to demonstrate that the Fe-NO bond is covalent.

Original language	English
Pages (from-to)	327-332
Number of pages	6
Journal	Theoretical and Experimental Chemistry
Volume	27
Issue number	3
DOIs	https://doi.org/10.1007/BF01372503
State	Published - May 1991

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Gérbéléu, N. V., Arion, V. B., Simonov, Y. A., Zavodnik, V. E., Turté, K. I., Stavrov, S. S., Pasynskii, A. A., Ellert, O. G., Grédinaru, D. I., & Byrke, M. S. (1991). Template synthesiS: Geometrical and electronic structures of the Fe nitrosyl complex formed by bis(S-methylisothiosemicarbazone)-2,4-pentandione. Theoretical and Experimental Chemistry, 27(3), 327-332. https://doi.org/10.1007/BF01372503

@article{77e16d9f97a445d4b25aaa461838f06e,

title = "Template synthesiS: Geometrical and electronic structures of the Fe nitrosyl complex formed by bis(S-methylisothiosemicarbazone)-2,4-pentandione",

abstract = "Sodium acetylacetonate reacts with S-metliylisothiosemicarbazidium nitrate and Fe(NO3)3 · 9H2O in ethanol to make [Fe(HL)NO]NO3, in which H3L is bis(S-methyl-isothiosemicarbazone)-2,4-puntandione. The [Fe(HL)NO]+ cation has a square pyramidal structure with the HL2- arranged around the central ion in the basal plane and the nitrogen atom of the NO group in the apical position, with the iron atom diverging from the plane of the base of the pyramid by 0.477 {\AA}. The FeN0 moiety has a linear structure (∠FeNO = l72.7°). XRD, IR, and M{\"o}ssbauer spectroscopy have been combined with calculations on the electronic structure to demonstrate that the Fe-NO bond is covalent.",

author = "G{\'e}rb{\'e}l{\'e}u, {N. V.} and Arion, {V. B.} and Simonov, {Yu A.} and Zavodnik, {V. E.} and Turt{\'e}, {K. I.} and Stavrov, {S. S.} and Pasynskii, {A. A.} and Ellert, {O. G.} and Gr{\'e}dinaru, {D. I.} and Byrke, {M. S.}",

year = "1991",

month = may,

doi = "10.1007/BF01372503",

language = "אנגלית",

volume = "27",

pages = "327--332",

journal = "Theoretical and Experimental Chemistry",

issn = "0040-5760",

publisher = "Springer New York",

number = "3",

}

Gérbéléu, NV, Arion, VB, Simonov, YA, Zavodnik, VE, Turté, KI, Stavrov, SS, Pasynskii, AA, Ellert, OG, Grédinaru, DI & Byrke, MS 1991, 'Template synthesiS: Geometrical and electronic structures of the Fe nitrosyl complex formed by bis(S-methylisothiosemicarbazone)-2,4-pentandione', Theoretical and Experimental Chemistry, vol. 27, no. 3, pp. 327-332. https://doi.org/10.1007/BF01372503

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T2 - Geometrical and electronic structures of the Fe nitrosyl complex formed by bis(S-methylisothiosemicarbazone)-2,4-pentandione

AU - Gérbéléu, N. V.

AU - Arion, V. B.

AU - Simonov, Yu A.

AU - Zavodnik, V. E.

AU - Turté, K. I.

AU - Stavrov, S. S.

AU - Pasynskii, A. A.

AU - Ellert, O. G.

AU - Grédinaru, D. I.

AU - Byrke, M. S.

PY - 1991/5

Y1 - 1991/5

N2 - Sodium acetylacetonate reacts with S-metliylisothiosemicarbazidium nitrate and Fe(NO3)3 · 9H2O in ethanol to make [Fe(HL)NO]NO3, in which H3L is bis(S-methyl-isothiosemicarbazone)-2,4-puntandione. The [Fe(HL)NO]+ cation has a square pyramidal structure with the HL2- arranged around the central ion in the basal plane and the nitrogen atom of the NO group in the apical position, with the iron atom diverging from the plane of the base of the pyramid by 0.477 Å. The FeN0 moiety has a linear structure (∠FeNO = l72.7°). XRD, IR, and Mössbauer spectroscopy have been combined with calculations on the electronic structure to demonstrate that the Fe-NO bond is covalent.

AB - Sodium acetylacetonate reacts with S-metliylisothiosemicarbazidium nitrate and Fe(NO3)3 · 9H2O in ethanol to make [Fe(HL)NO]NO3, in which H3L is bis(S-methyl-isothiosemicarbazone)-2,4-puntandione. The [Fe(HL)NO]+ cation has a square pyramidal structure with the HL2- arranged around the central ion in the basal plane and the nitrogen atom of the NO group in the apical position, with the iron atom diverging from the plane of the base of the pyramid by 0.477 Å. The FeN0 moiety has a linear structure (∠FeNO = l72.7°). XRD, IR, and Mössbauer spectroscopy have been combined with calculations on the electronic structure to demonstrate that the Fe-NO bond is covalent.

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Template synthesiS: Geometrical and electronic structures of the Fe nitrosyl complex formed by bis(S-methylisothiosemicarbazone)-2,4-pentandione

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