Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Synthesis of a New Dinuclear Cu(I) Complex with Triazine Ligand and diphenylphosphine methane: X-ray Structure, Optical properties, DFT calculations and application in DSSC

Version 1 : Received: 1 September 2023 / Approved: 4 September 2023 / Online: 4 September 2023 (14:59:22 CEST)

A peer-reviewed article of this Preprint also exists.

Peñuelas, C.A.; Campos-Gaxiola, J.J.; Soto-Rojo, R.; Cruz-Enríquez, A.; Reynoso-Soto, E.A.; Miranda-Soto, V.; García, J.J.; Flores-Álamo, M.; Baldenebro-López, J.; Glossman-Mitnik, D. Synthesis of a New Dinuclear Cu(I) Complex with a Triazine Ligand and Diphenylphosphine Methane: X-ray Structure, Optical Properties, DFT Calculations, and Application in DSSCs. Inorganics 2023, 11, 379. Peñuelas, C.A.; Campos-Gaxiola, J.J.; Soto-Rojo, R.; Cruz-Enríquez, A.; Reynoso-Soto, E.A.; Miranda-Soto, V.; García, J.J.; Flores-Álamo, M.; Baldenebro-López, J.; Glossman-Mitnik, D. Synthesis of a New Dinuclear Cu(I) Complex with a Triazine Ligand and Diphenylphosphine Methane: X-ray Structure, Optical Properties, DFT Calculations, and Application in DSSCs. Inorganics 2023, 11, 379.

Abstract

A new copper(I) complex, [Cu2(L)2dppm](PF6)2 (1) [L = 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine and dppm: Bis(diphenylphosphino)methane] was prepared and characterized by IR, 1H-NMR, 31P-NMR spectroscopy, elemental and thermogravimetric analysis, and single-crystal X-ray diffraction technique. Complex 1 is a dinuclear compound, showing that L and dppm act as tridentate and bidentate chelating ligands, respectively. The two Cu(I) atoms exhibit a distorted tetrahedral coordination sphere embedded in N3P environments. The supramolecular interactions in the solid-state structure are characterized by C−H···N, C−H···F, C-H···π and π···π intermolecular interactions that were analyzed by inspection of the Hirshfeld surface and fingerprint plots. Additionally, the complex was studied experimentally in solution by UV–Vis spectroscopy and cyclic voltammetry; also, theoretical studies with Time-Dependent Density Functional Theory (TD-DFT) were performed. Moreover, the optical and electrochemical properties have been studied, focusing on the band gap. Compound 1 has been used as a co-sensitizer in a dye-sensitized solar cell, showing good activity.

Keywords

copper (I); triazine, phosphine, crystal structure, theoretical calculations, co-sensitized.

Subject

Chemistry and Materials Science, Applied Chemistry

Comments (0)

We encourage comments and feedback from a broad range of readers. See criteria for comments and our Diversity statement.

Leave a public comment
Send a private comment to the author(s)
* All users must log in before leaving a comment
Views 0
Downloads 0
Comments 0


×
Alerts
Notify me about updates to this article or when a peer-reviewed version is published.
We use cookies on our website to ensure you get the best experience.
Read more about our cookies here.