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?Synthesis, properties and evaluations of intermolecularinteractions in the solid state of triazenes and complexes with cadmium (II)?
Vanessa Santana Carratu
Location:
http://coralx.ufsm.br/tede/tde_busca/arquivo.php?codArquivo=742
http://coralx.ufsm.br/tede/tde_busca/arquivo.php?codArquivo=743
This work demonstrates the determination of the crystalline/molecular structure of three cadmium (II) complexes with monocatenated triazenes ligands previously deprotonated and the structures crystalline/molecular of two free triazenes compounds. The complex Cd[FC6H4NNNC6H4F]2(C5H5N)2 (1) crystallizes in orthorrombic system, space group Iba2 with cell parameters a = 9.835(3)Å , b = 19.229(2)Å, c = 16.750(6)Å; V = 3167.6(15) Å3; Z = 4. The refinement of this structure converge to the discordance indexes R1 = 0.0214, wR2 = 0.0498. Two deprotonated triazenes ligands and two pyridine molecules form the coordination sphere of cadmium (II) ion. Intermolecular interactions type C?H...F are observed in this structure given rise molecular chains at the [001] crystallographic direction. The complex [CdFC6H4NNNC6H4NO2)2(C5H5N)2] (2) crystallizes in monoclinic system, space group P21/c with cell parameters a = 9.87830(10) Å, b =15.9648(2) Å, c = 22.0289(4) Å, ? = 98.4200(5)°; V = 3436.62(8) Å3; Z = 4. The refinement of this structure converge to the discordance indexes R1 = 0.0281, wR2 = 0.0671. The coordination sphere of cadmium ion is similar to the complex (1). The molecules of (2) develop a tridimensional polymeric chains binding by intermolecular non-classics hydrogen bonds type C?H...O. The complex {Cd[O2NC6H4NNNC6H4NO2]2[(CH3)2NCHO]2} (3) crystallizes intriclinic system, space group P1, with cell parameters a = 10.7478(10)Å, b = 12.2886(2)Å, c = 13.9390(2)Å, ? = 84.2884(5)°, ? = 83.0651(5)°, ? = 87.2919(8)°; V = 1817.30(4) Å3; Z = 2. The refinement of the structure converge to the follow discordance indexes R1 = 0.0216, wR2 = 0.0528. We observe in this complex a similar coordination sphere to complexes (1) and (2) but the pyridine molecules are substituted by two molecules of dimethylformamide. The molecules of the complexes form molecular chains developing a extended tridimensional supramolecular arrangement (3D) binding by intermolecular non-classics hydrogen bonds C?H...O. The triazene compound CH3CH2O(CO)C6H4N(H)NN-C6H4F (4) crystallizes in monoclinic system, space group C2/c, with cell parameters a = 11.229(2) Å, b = 11.737(3) Å, c = 22.173(4) Å, ? = 98.410(16)°; V = 2890.9(10) Å3; Z = 8. The refinement of the structure converge to the discordance indexes R1 =0.0528, wR2 = 0.1348. The crystalline structure of (4) shows molecular chains binding by classics hydrogen bonds N?H...O, which related by operations of symmetry given rise a bidimensional supramolecular arrangement (2D) by non-classics hydrogen bonds C?H...O. The triazene compound C6H5NNN(OH)C6H4(CO)O-CH2CH3 (5) crystallizes in orthorrombic system, space group Pbca, with cell parameters a = 12.287(2) Å, b = 11.499(2) Å, c = 19.762(4) Å; V = 2792.1(9) Å3; Z = 8. The refinement of the structure converge to the discordance indexes R1 = 0.0425, wR2 = 0.0998. In a similar way that the previous structure (4), the triazene (5) shows molecular chains binding by classics hydrogen bonds N?H...O and non-classics hydrogen bonds C?H...O which related by operations of symmetry arising a bidimensional supramolecular arrangement (2D).
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Detalles del recurso
|
?Synthesis, properties and evaluations of intermolecularinteractions in the solid state of triazenes and complexes with cadmium (II)?
|
| Id. |
21375513 |
| Idioma |
PT
|
| Titulo |
?Synthesis, properties and evaluations of intermolecularinteractions in the solid state of triazenes and complexes with cadmium (II)? |
| Autor(es) |
Vanessa Santana Carratu |
| Location |
http://coralx.ufsm.br/tede/tde_busca/arquivo.php?codArquivo=742
http://coralx.ufsm.br/tede/tde_busca/arquivo.php?codArquivo=743
|
| Versión |
1.0 |
| Estado |
Final
|
| Descripción |
This work demonstrates the determination of the crystalline/molecular structure of three cadmium (II) complexes with monocatenated triazenes ligands previously deprotonated and the structures crystalline/molecular of two free triazenes compounds. The complex Cd[FC6H4NNNC6H4F]2(C5H5N)2 (1) crystallizes in orthorrombic system, space group Iba2 with cell parameters a = 9.835(3)Å , b = 19.229(2)Å, c = 16.750(6)Å; V = 3167.6(15) Å3; Z = 4. The refinement of this structure converge to the discordance indexes R1 = 0.0214, wR2 = 0.0498. Two deprotonated triazenes ligands and two pyridine molecules form the coordination sphere of cadmium (II) ion. Intermolecular interactions type C?H...F are observed in this structure given rise molecular chains at the [001] crystallographic direction. The complex [CdFC6H4NNNC6H4NO2)2(C5H5N)2] (2) crystallizes in monoclinic system, space group P21/c with cell parameters a = 9.87830(10) Å, b =15.9648(2) Å, c = 22.0289(4) Å, ? = 98.4200(5)°; V = 3436.62(8) Å3; Z = 4. The refinement of this structure converge to the discordance indexes R1 = 0.0281, wR2 = 0.0671. The coordination sphere of cadmium ion is similar to the complex (1). The molecules of (2) develop a tridimensional polymeric chains binding by intermolecular non-classics hydrogen bonds type C?H...O. The complex {Cd[O2NC6H4NNNC6H4NO2]2[(CH3)2NCHO]2} (3) crystallizes intriclinic system, space group P1, with cell parameters a = 10.7478(10)Å, b = 12.2886(2)Å, c = 13.9390(2)Å, ? = 84.2884(5)°, ? = 83.0651(5)°, ? = 87.2919(8)°; V = 1817.30(4) Å3; Z = 2. The refinement of the structure converge to the follow discordance indexes R1 = 0.0216, wR2 = 0.0528. We observe in this complex a similar coordination sphere to complexes (1) and (2) but the pyridine molecules are substituted by two molecules of dimethylformamide. The molecules of the complexes form molecular chains developing a extended tridimensional supramolecular arrangement (3D) binding by intermolecular non-classics hydrogen bonds C?H...O. The triazene compound CH3CH2O(CO)C6H4N(H)NN-C6H4F (4) crystallizes in monoclinic system, space group C2/c, with cell parameters a = 11.229(2) Å, b = 11.737(3) Å, c = 22.173(4) Å, ? = 98.410(16)°; V = 2890.9(10) Å3; Z = 8. The refinement of the structure converge to the discordance indexes R1 =0.0528, wR2 = 0.1348. The crystalline structure of (4) shows molecular chains binding by classics hydrogen bonds N?H...O, which related by operations of symmetry given rise a bidimensional supramolecular arrangement (2D) by non-classics hydrogen bonds C?H...O. The triazene compound C6H5NNN(OH)C6H4(CO)O-CH2CH3 (5) crystallizes in orthorrombic system, space group Pbca, with cell parameters a = 12.287(2) Å, b = 11.499(2) Å, c = 19.762(4) Å; V = 2792.1(9) Å3; Z = 8. The refinement of the structure converge to the discordance indexes R1 = 0.0425, wR2 = 0.0998. In a similar way that the previous structure (4), the triazene (5) shows molecular chains binding by classics hydrogen bonds N?H...O and non-classics hydrogen bonds C?H...O which related by operations of symmetry arising a bidimensional supramolecular arrangement (2D). |
| Tipo |
PDF PDF |
| Palabras clave |
química inorgânica |
| Tipo de recurso |
Electronic Thesis or Dissertation
Tese ou Dissertacao Eletronica
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| Tipo de Interactividad |
Expositivo
|
| Nivel de Interactividad |
muy bajo
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| Audiencia |
Estudiante
Profesor
Autor
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| Estructura |
Atomic |
| Coste |
no
|
| Copyright |
sí
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Liberar o conteúdo dos arquivos para acesso público |
| Formatos |
PDF PDF |
| Requerimientos técnicos |
Browser: Any |
| Fecha de contribución |
21-dic-2007 |
| Contacto |
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