Bright Luminescence in Three Phases—A Combined Synthetic, Spectroscopic and Theoretical Approach

• Published in: Angewandte Chemie International Edition Vol. 60; no. 43; pp. 23365 - 23372
• Main Authors: Dahlen, Milena, Hollesen, Eike H., Kehry, Max, Gamer, Michael T., Lebedkin, Sergei, Schooss, Detlef, Kappes, Manfred M., Klopper, Wim, Roesky, Peter W.
• Format: Journal Article
• Language: English
• Published: Weinheim Wiley Subscription Services, Inc 18-10-2021; John Wiley and Sons Inc
• Edition: International ed. in English
• Subjects: Ambient temperature; Bimetals; coinage metals; Copper; Density functional theory; Gold; metallophilicity; phase-dependent photoluminescence; Phosphine; Phosphines; Phosphorescence; Photoluminescence; Photons; Quantum chemistry; Silver; Solid state; TDDFT; Vapor phases
• ISSN: 1433-7851; 1521-3773
• DOI: 10.1002/anie.202110043

Combining phase‐dependent photoluminescence (PL) measurements and quantum chemical calculations is a powerful approach to help understand the influence of the molecular surroundings on the PL properties. Herein, a phosphine functionalized amidinate was used to synthesize a recently presented bimetallic gold complex, featuring an unusual charge separation. The latter was subsequently used as metalloligand to yield heterotetrametallic complexes with an Au‐M‐M‐Au “molecular wire” arrangement (M=Cu, Ag, Au) featuring metallophilic interactions. All compounds show bright phosphorescence in the solid state, also at ambient temperature. The effect of the molecular environment on the PL was studied in detail for these tetrametallic complexes by comparative measurements in solution, in the solid state and in the gas phase and contrasted to time‐dependent density functional theory computations.
The photoluminescence of Au‐M‐M‐Au (M=Cu, Ag, Au) “molecular wire” complexes was studied in detail by comparative measurements in solution, in the solid state and in the gas phase and contrasted to time‐dependent density functional theory computations.