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Relativistic modulation of supramolecular halogen/copper interactions and phosphorescence in Cu(I) pyrazolate cyclotrimers.

Described herein are the synthesis, structure, and photophysics of the iodo-substituted cyclic trinuclear copper(I) complex, Cu3[4-I-3,5-(CF3)2Pz]3 supported by a highly-fluorinated pyrazolate in comparison with its previously reported 4-Br/4-Cl analogues. The… Click to show full abstract

Described herein are the synthesis, structure, and photophysics of the iodo-substituted cyclic trinuclear copper(I) complex, Cu3[4-I-3,5-(CF3)2Pz]3 supported by a highly-fluorinated pyrazolate in comparison with its previously reported 4-Br/4-Cl analogues. The crystal structure is stabilised by multiple supramolecular interactions of Cu3⋯I and hydrogen/halogen bonding. The photophysical properties and supramolecular interactions are investigated experimentally/computationally for all three 4-halo complexes vis-à-vis relativistic effects.

Keywords: modulation supramolecular; copper; relativistic modulation; pyrazolate; supramolecular halogen

Journal Title: Dalton transactions
Year Published: 2023

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