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Enlace de calcógeno que incluye metal. El caso del platino (II) Interacción con los donantes de agujeros σ basados en

Anton V Rozhkov¹, Eugene A Katlenok¹, Margarita V Zhmykhova¹

¹Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7/9, 199034 Saint Petersburg, Russian Federation.

Journal of the American Chemical Society

|September 16, 2021

Resumen

Este estudio explora los enlaces de calcógeno que involucran metales entre los complejos de platino y los donantes de calcógeno. Estas interacciones, cuantificadas por cálculos DFT, revelan patrones de enlace únicos y diferentes fortalezas, que impactan las estructuras cristalinas y las asociaciones de soluciones.

Área de la Ciencia:

Química inorgánica
Química supramolecular
La cristalografía
Química computacional

Sus antecedentes:

Los complejos de platino (II) con centros metálicos nucleófilos son de interés para las interacciones no covalentes.
Los donantes de enlaces de calcógeno, como (4-NC5F4) 2Ch, ofrecen capacidades de enlace únicas.
La comprensión de las interacciones metal-ligando es crucial para el diseño de nuevos materiales y catalizadores.

Objetivo del estudio:

Para sintetizar y caracterizar los cocristales de platino (II) complejos con donantes de enlaces de calcógeno.
Investigar la naturaleza y la fuerza de los enlaces de calcógeno con metales (Ch·d2-PtII).
Explorar la asociación estructural y de la fase de solución de estos complejos.

Principales métodos:

Cocristalización de los complejos de platino ([Pt (ppy) (acac) ] y [Pt (ppy) (tmhd) ]) con donantes de calcógeno.
Análisis por difracción de rayos X de los cocristales resultantes.
Cálculos de la teoría funcional de la densidad (DFT) (PBE0-D3BJ) para determinar las energías de interacción.
Espectroscopia de RMN en estado de solución (1H, 13C, 19F, 195Pt, 125Te, HOESY, RMN de difusión) y calorimetría de titulación isotérmica.

Principales resultados:

Formación de cocristales isostruturales con enlaces de calcógeno definidos que involucran metales (Ch·d2-PtII) con energías que van desde -7 hasta -12 kcal/mol.
Identificación de una interacción bifurcada de tres centros en un cocristal y un enlace de calcógeno puramente bicentrado y más fuerte en otro.
Confirmación de una asociación 1:1 entre [Pt(ppy) ((tmhd) ] y (4-NC5F4) 2Te en solución mediante métodos espectroscópicos y calorimétricos.

Conclusiones:

El estudio demuestra la formación y caracterización de enlaces de calcógeno que involucran metales.
La fuerza y la geometría de estos enlaces están influenciadas por el complejo de platino y el donante de calcógeno.
Estos hallazgos proporcionan información sobre las interacciones no covalentes que involucran el platino y los calcógenos, relevantes para la ciencia de los materiales.

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