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Estructura del catión decametil titanoceno, un metalloceno con dos enlaces agóstico C-h, y su interacción con los

Marco W Bouwkamp¹, Jeanette de Wolf, Isabel del Hierro Morales

¹Center for Catalytic Olefin Polymerization, Stratingh Institute for Chemistry and Chemical Engineering, University of Groningen, Nijenborgh 4, 9747 AG, Groningen, The Netherlands.

Journal of the American Chemical Society

|October 31, 2002

Resumen

El tetrafenilborato de decametil titanoceno exhibe una reactividad única, formando adyuctos con el THF y el fluorobenzeno. Se somete a la activación del enlace C-F con trifluorotolueno y ciertos aniones de borato fluorado, dando difluoruro de titanoceno.

Área de la Ciencia:

Química organometálica Química orgánica de los metales.
Química del Titanoceno La Química del Titanoceno
Química de los aniones de borato Química de los aniones de borato

Sus antecedentes:

Los complejos de decametil titanoceno son compuestos organometálicos versátiles.
El anión tetrafenilborato es un contraión común en la química de coordinación.
Comprender la reactividad de los cationes de titanoceno es crucial para la catálisis y la ciencia de los materiales.

Objetivo del estudio:

Para sintetizar y caracterizar la sal de tetrafenilborato del catión decametil titanoceno, [Cp*2Ti][BPh4].
Para investigar la reactividad de este complejo con varios ligandos y compuestos fluorados.
Explorar el papel del contraanión en la reactividad de los complejos de titanoceno.

Principales métodos:

Síntesis de [Cp*2Ti][BPh4] a través de reacciones que involucran Cp*2TiH y Cp*2TiMe.
Determinación de la estructura cristalina del catión titanoceno y su adducto fluorobenzeno.
Estudios de reactividad que incluyen THF, fluorobenzeno, alfa, alfa, alfa-trifluorotolueno y aniones de borato fluorado.

Principales resultados:

La estructura cristalina de [Cp*2Ti][BPh4] revela una estructura de metalloceno doblado con interacciones agósticas.
Se observó y caracterizó la formación de aductos con THF y eta1-fluorobenzeno.
La activación del enlace C-F se produjo con alfa, alfa, alfa-trifluorotolueno y un anión específico de borato fluorado, lo que condujo a la formación de Cp*2TiF2.

Conclusiones:

El catión decametil titanoceno forma fácilmente aductos con las bases de Lewis y los sistemas pi.
El complejo exhibe activación selectiva de enlaces C-F, particularmente con los enlaces C-F bencílicos.
La naturaleza del contraanión fluorado influye significativamente en la reactividad del complejo de titanoceno.

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