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

Zhou Lu; Mukundam Vanga; Shan Li; Joseph O Adebanjo; Monika R Patterson; H V Rasika Dias; Mohammad A Omary

doi:10.1039/d2dt03725d

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

Dalton Trans. 2023 Mar 28;52(13):3964-3970. doi: 10.1039/d2dt03725d.

Authors

Zhou Lu¹, Mukundam Vanga², Shan Li¹, Joseph O Adebanjo¹, Monika R Patterson², H V Rasika Dias², Mohammad A Omary¹

Affiliations

¹ Department of Chemistry, University of North Texas, 1155 Union Circle #305070, Denton, Texas 76203, USA. omary@unt.edu.
² Department of Chemistry and Biochemistry, The University of Texas at Arlington, Arlington, Texas 76019, USA. dias@uta.edu.

PMID: 36594647
DOI: 10.1039/d2dt03725d

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.