fac-Acetato-bis(pyrazole) complexes: A systematic study on intra- and intermolecular hydrogen bonds

Arroyo, Marta; García-de-Prada, M. Teresa; García-Martín, Carolina; García-Pacios, Vanesa; García‐Rodríguez, Raúl; Gómez‐Iglesias, Patricia; Lorenzo, F.; Martín-Moreno, Isaac; Miguel, Daniel; Villafañe, Fernando

doi:10.1016/j.jorganchem.2009.05.006

Cited by 8 publications

(3 citation statements)

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“…complexes recently reported. 7 The pattern of the hydrogen bonds is also similar to that detected in those dmpzH complexes: one of them occurs between the coordinated oxygen of the acetate and • respectively) confirm the presence of hydrogen bonds which may be considered as "moderate". 9…”

Section: Results and Discussion [Mo(g 3 -Allyl)(o 2 Cme)(co) 2 (Pz*h)...supporting

confidence: 70%

“…We have recently carried out a systematic study on the crystal structures of [Mo(h 3 -methallyl)(O 2 CMe)(CO) 2 (pz*H) 2 ] complexes, which reveal the presence of intra-or intermolecular hydrogen bonds depending on whether pzH or dmpzH is the ligand present. 7 Similar complexes [Mo(h 3 -allyl)(O 2 CMe)(CO) 2 (pz*H) 2 ] (pz*H = pzH, 1a; dmpzH, 1b) were obtained by the same way, that is, by treating the corresponding bromo complexes [Mo(h 3allyl)Br(CO) 2 (pz*H) 2 ] 8 with excess of sodium acetate.…”

Section: Results and Discussion [Mo(g 3 -Allyl)(o 2 Cme)(co) 2 (Pz*h)...mentioning

confidence: 91%

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Tetranuclear organometallic complexes containing Mo2O42+ and allylmolybdenum(ii) moieties

et al. 2010

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Refluxing toluene solutions of [Mo(η(3)-allyl)(O(2)CMe)(CO)(2)(pz*H)(2)] (pz*H = pzH, pyrazole, or dmpzH, 3,5-dimethylpyrazole) without exclusion of air, give the tetranuclear complexes [Mo(2)O(2)(O(2)CCH(3))(2){(μ(3)-O)(μ-pz*)Mo(η(3)-allyl)(CO)(2)(pz*H)}(2)], where two chelating acetato ligands and two "Mo(η(3)-allyl)(CO)(2)(pz*H)(μ-pz*)" fragments are bonded to a central Mo(2)O(4)(2+) moiety.

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Section: Results and Discussion [Mo(g 3 -Allyl)(o 2 Cme)(co) 2 (Pz*h)...supporting

confidence: 70%

Section: Results and Discussion [Mo(g 3 -Allyl)(o 2 Cme)(co) 2 (Pz*h)...mentioning

confidence: 91%

Tetranuclear organometallic complexes containing Mo2O42+ and allylmolybdenum(ii) moieties

et al. 2010

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“…En los últimos años en nuestro grupo de investigación se ha estudiado el comportamiento de un tipo especial de ligandos quelato nitrógeno dadores en los que cada átomo de nitrógeno forma parte de un grupo dador diferente. [57][58][59][60][61][62][63][64][65][66][67][68][69] Estos ligandos se suelen denominar "mixtos" y presentan un atractivo especial, debido a la diferente estabilidad y reactividad de cada uno de los fragmentos. Tras estos precedentes y lo expuesto anteriormente sobre el ligando amidino, decidimos centrar nuestros estudios en el ligando pirazolilamidino (Figura 4, B).…”

Section: El Ligando Amidinounclassified

Complejos de Reniotricarbonilo con Amidinos: síntesis, mecanismo y propiedades

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2. INTRODUCCIÓN 2.1. El fragmento fac-"Re(CO) 3 " 2.1.1. Luminiscencia, estudios fotofísicos y dispositivos moleculares fotoactivos 1 2.1.2. Química bioorganometálica 1 2.1.3. Reducción de CO 2 1 2.1.4. Electroquímica 1 2.1.5. Enlaces supramoleculares y especies polinucleares, aparatos y aplicaciones 1 2.2. El ligando amidino 2.2.1. El ligando pirazolilamidino 1 2.2.2. Mecanismo de formación del ligando pirazolilamidino 2 2.2.3. Ligandos amidino derivados de nucleobases 2 3. OBJETIVOS 4. RESUMEN DE RESULTADOS 4.1. Estudio del mecanismo de formación del pirazolilamidino 4.2. Estudio de las propiedades fotofísicas de los complejos 4.2.1. Estudios fotofísicos 4 4.2.2. Estudios electroquímicos 4 4.2.3. Cálculos teóricos 4 4.3. Formación de complejos amidino a partir de nucleobases 5. ARTÍCULO 1 Pyrazolylamidino Ligands from Coupling of Acetonitrile and Pyrazoles: a Systematic Study 6. ARTÍCULO 2 Luminescent Rhenium(I) Tricarbonyl Complexes with Pyrazolylamidino Ligands: Photophysical, Electrochemical and Computational Studies 7. ARTÍCULO 3 Amidino Ligands from Coupling 1-Methylcytosine and Nitrile: a New Way to Incorporate Biomolecules to Luminiscent Rhenium(I) Tricarbonyl Complexes 8. DOCTORADO INTERNACIONAL

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Experimental and DFT studies on Hexacoordinated acyl(alkyl)and Pentacooordinated Hydroxyalkyl(phosphinite)erhodium(III). Catalytic Hydrolysis of Ammonia Borane

et al. 2021

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[Rh(nbd)Cl]2 (nbd=norbornadiene) reacts with quinoline‐8‐carbaldehyde (C9H6NCHO) and pyrazole (Hpz) affording, depending on Rh/Hpz ratio, acyl‐alkyl [Rh(μ‐Cl)(C9H6NCO)(Hpz)(σ‐C7H9)]2 (1) or [RhCl(C9H6NCO)(Hpz)2(σ‐norbornenyl)] (2), stereoselectively as confirmed by DFT calculations. Hydrogen bond between NH‐pyrazole and O‐acyl occurs. 1 and 2 react with diphenylphosphine oxide (SPO) giving 16e [RhCl(C9H6NC(nbyl))(Ph2PO)(Hpz)] (3) through SPO κ1‐P‐coordination, C−C bond coupling between acyl and norbornenyl and outer‐sphere O(P)‐to‐O(C) hydrogen transfer. 3 shows distorted trigonal bipyramidal structure with weak intramolecular (C)−OH⋅⋅⋅O(=P) and NH⋅⋅⋅Cl hydrogen bonds. DFT calculations indicate this 16e structure being favoured by σ‐ and π‐type orbital multi‐overlapping between pyrazole and both the OH⋅⋅⋅O and chlorine and by intermolecular forces in the crystal. Solutions of 3 contain an equilibrium between trigonal bipyramid and a square‐planar pyramid with OH interacting with phosphoryl and NH, confirmed by DFT 13C NMR calculations. 1 is very efficient homogeneous catalyst for H3N−BH3 hydrolysis to release hydrogen under air.

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fac-Acetato-bis(pyrazole) complexes: A systematic study on intra- and intermolecular hydrogen bonds

Cited by 8 publications

References 64 publications

Tetranuclear organometallic complexes containing Mo2O42+ and allylmolybdenum(ii) moieties

Tetranuclear organometallic complexes containing Mo2O42+ and allylmolybdenum(ii) moieties

Complejos de Reniotricarbonilo con Amidinos: síntesis, mecanismo y propiedades

Experimental and DFT studies on Hexacoordinated acyl(alkyl)and Pentacooordinated Hydroxyalkyl(phosphinite)erhodium(III). Catalytic Hydrolysis of Ammonia Borane

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