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Towards direct correlations between spin-crossover and structural features in iron(II) complexes
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| Zeitschriftentitel: | Acta Crystallographica Section B Structural Science |
|---|---|
| Personen und Körperschaften: | , , , |
| In: | Acta Crystallographica Section B Structural Science, 59, 2003, 4, S. 479-486 |
| Format: | E-Article |
| Sprache: | Unbestimmt |
| veröffentlicht: |
International Union of Crystallography (IUCr)
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| Schlagwörter: |
| author_facet |
Marchivie, Mathieu Guionneau, Philippe Létard, Jean-François Chasseau, Daniel Marchivie, Mathieu Guionneau, Philippe Létard, Jean-François Chasseau, Daniel |
|---|---|
| author |
Marchivie, Mathieu Guionneau, Philippe Létard, Jean-François Chasseau, Daniel |
| spellingShingle |
Marchivie, Mathieu Guionneau, Philippe Létard, Jean-François Chasseau, Daniel Acta Crystallographica Section B Structural Science Towards direct correlations between spin-crossover and structural features in iron(II) complexes General Biochemistry, Genetics and Molecular Biology General Medicine |
| author_sort |
marchivie, mathieu |
| spelling |
Marchivie, Mathieu Guionneau, Philippe Létard, Jean-François Chasseau, Daniel 0108-7681 International Union of Crystallography (IUCr) General Biochemistry, Genetics and Molecular Biology General Medicine http://dx.doi.org/10.1107/s0108768103011200 <jats:p>The [Fe(PM-BiA)<jats:sub>2</jats:sub>(NCS)<jats:sub>2</jats:sub>] complex, where PM is <jats:italic>N</jats:italic>-2-pyridylmethylene and BiA is 4-aminobiphenyl, crystallizes in two polymorphs. The two phases, denoted (I) and (II), undergo a spin-crossover when the sample is cooled and present distinct spin-transition features as (I) shows a very abrupt spin transition, while (II) exhibits a gradual transition. The two forms of the complex are used to investigate the correlations that exist between the spin-transition features and structural features. This article presents the crystal structures of polymorph (II) at room temperature (high spin) and at 120 K (low spin), including a comparison with those of polymorph (I). This study reveals that the packing, in a first approximation, is similar in both forms. In order to look at the crystal structures in more detail, a new angular parameter, denoted θ<jats:sub>NCS</jats:sub>, as well as a particular type of intermolecular hydrogen-bond interaction, which involves the S atoms of the NCS ligands, are investigated. Interestingly, this angle and this intermolecular interaction can be directly connected to the cooperativity of the spin transition. Such a result is extended to all the SCO iron(II) complexes belonging to the same family of the general formula [Fe(PM-L)<jats:sub>2</jats:sub>(NCS)<jats:sub>2</jats:sub>].</jats:p> Towards direct correlations between spin-crossover and structural features in iron(II) complexes Acta Crystallographica Section B Structural Science |
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International Union of Crystallography (IUCr), 2003 |
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International Union of Crystallography (IUCr), 2003 |
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Acta Crystallographica Section B Structural Science |
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| title |
Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_unstemmed |
Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_full |
Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_fullStr |
Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_full_unstemmed |
Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_short |
Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_sort |
towards direct correlations between spin-crossover and structural features in iron(ii) complexes |
| topic |
General Biochemistry, Genetics and Molecular Biology General Medicine |
| url |
http://dx.doi.org/10.1107/s0108768103011200 |
| publishDate |
2003 |
| physical |
479-486 |
| description |
<jats:p>The [Fe(PM-BiA)<jats:sub>2</jats:sub>(NCS)<jats:sub>2</jats:sub>] complex, where PM is <jats:italic>N</jats:italic>-2-pyridylmethylene and BiA is 4-aminobiphenyl, crystallizes in two polymorphs. The two phases, denoted (I) and (II), undergo a spin-crossover when the sample is cooled and present distinct spin-transition features as (I) shows a very abrupt spin transition, while (II) exhibits a gradual transition. The two forms of the complex are used to investigate the correlations that exist between the spin-transition features and structural features. This article presents the crystal structures of polymorph (II) at room temperature (high spin) and at 120 K (low spin), including a comparison with those of polymorph (I). This study reveals that the packing, in a first approximation, is similar in both forms. In order to look at the crystal structures in more detail, a new angular parameter, denoted θ<jats:sub>NCS</jats:sub>, as well as a particular type of intermolecular hydrogen-bond interaction, which involves the S atoms of the NCS ligands, are investigated. Interestingly, this angle and this intermolecular interaction can be directly connected to the cooperativity of the spin transition. Such a result is extended to all the SCO iron(II) complexes belonging to the same family of the general formula [Fe(PM-L)<jats:sub>2</jats:sub>(NCS)<jats:sub>2</jats:sub>].</jats:p> |
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| author | Marchivie, Mathieu, Guionneau, Philippe, Létard, Jean-François, Chasseau, Daniel |
| author_facet | Marchivie, Mathieu, Guionneau, Philippe, Létard, Jean-François, Chasseau, Daniel, Marchivie, Mathieu, Guionneau, Philippe, Létard, Jean-François, Chasseau, Daniel |
| author_sort | marchivie, mathieu |
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| container_title | Acta Crystallographica Section B Structural Science |
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| description | <jats:p>The [Fe(PM-BiA)<jats:sub>2</jats:sub>(NCS)<jats:sub>2</jats:sub>] complex, where PM is <jats:italic>N</jats:italic>-2-pyridylmethylene and BiA is 4-aminobiphenyl, crystallizes in two polymorphs. The two phases, denoted (I) and (II), undergo a spin-crossover when the sample is cooled and present distinct spin-transition features as (I) shows a very abrupt spin transition, while (II) exhibits a gradual transition. The two forms of the complex are used to investigate the correlations that exist between the spin-transition features and structural features. This article presents the crystal structures of polymorph (II) at room temperature (high spin) and at 120 K (low spin), including a comparison with those of polymorph (I). This study reveals that the packing, in a first approximation, is similar in both forms. In order to look at the crystal structures in more detail, a new angular parameter, denoted θ<jats:sub>NCS</jats:sub>, as well as a particular type of intermolecular hydrogen-bond interaction, which involves the S atoms of the NCS ligands, are investigated. Interestingly, this angle and this intermolecular interaction can be directly connected to the cooperativity of the spin transition. Such a result is extended to all the SCO iron(II) complexes belonging to the same family of the general formula [Fe(PM-L)<jats:sub>2</jats:sub>(NCS)<jats:sub>2</jats:sub>].</jats:p> |
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| imprint | International Union of Crystallography (IUCr), 2003 |
| imprint_str_mv | International Union of Crystallography (IUCr), 2003 |
| institution | DE-L229, DE-D275, DE-Bn3, DE-Brt1, DE-D161, DE-Gla1, DE-Zi4, DE-15, DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1 |
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| physical | 479-486 |
| publishDate | 2003 |
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| publisher | International Union of Crystallography (IUCr) |
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| spelling | Marchivie, Mathieu Guionneau, Philippe Létard, Jean-François Chasseau, Daniel 0108-7681 International Union of Crystallography (IUCr) General Biochemistry, Genetics and Molecular Biology General Medicine http://dx.doi.org/10.1107/s0108768103011200 <jats:p>The [Fe(PM-BiA)<jats:sub>2</jats:sub>(NCS)<jats:sub>2</jats:sub>] complex, where PM is <jats:italic>N</jats:italic>-2-pyridylmethylene and BiA is 4-aminobiphenyl, crystallizes in two polymorphs. The two phases, denoted (I) and (II), undergo a spin-crossover when the sample is cooled and present distinct spin-transition features as (I) shows a very abrupt spin transition, while (II) exhibits a gradual transition. The two forms of the complex are used to investigate the correlations that exist between the spin-transition features and structural features. This article presents the crystal structures of polymorph (II) at room temperature (high spin) and at 120 K (low spin), including a comparison with those of polymorph (I). This study reveals that the packing, in a first approximation, is similar in both forms. In order to look at the crystal structures in more detail, a new angular parameter, denoted θ<jats:sub>NCS</jats:sub>, as well as a particular type of intermolecular hydrogen-bond interaction, which involves the S atoms of the NCS ligands, are investigated. Interestingly, this angle and this intermolecular interaction can be directly connected to the cooperativity of the spin transition. Such a result is extended to all the SCO iron(II) complexes belonging to the same family of the general formula [Fe(PM-L)<jats:sub>2</jats:sub>(NCS)<jats:sub>2</jats:sub>].</jats:p> Towards direct correlations between spin-crossover and structural features in iron(II) complexes Acta Crystallographica Section B Structural Science |
| spellingShingle | Marchivie, Mathieu, Guionneau, Philippe, Létard, Jean-François, Chasseau, Daniel, Acta Crystallographica Section B Structural Science, Towards direct correlations between spin-crossover and structural features in iron(II) complexes, General Biochemistry, Genetics and Molecular Biology, General Medicine |
| title | Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_full | Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_fullStr | Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_full_unstemmed | Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_short | Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| title_sort | towards direct correlations between spin-crossover and structural features in iron(ii) complexes |
| title_unstemmed | Towards direct correlations between spin-crossover and structural features in iron(II) complexes |
| topic | General Biochemistry, Genetics and Molecular Biology, General Medicine |
| url | http://dx.doi.org/10.1107/s0108768103011200 |