Relativistic modulation of supramolecular halogen/copper interactions and phosphorescence in Cu(i) pyrazolate cyclotrimers†
Zhou
Lu, 
a
Mukundam
Vanga,
b
Shan
Li,
a
Joseph O.
Adebanjo,
a
Monika R.
Patterson,
b
H. V. Rasika
Dias
*b
and
Mohammad A.
Omary
*a
a
Mukundam
Vanga,
b
Shan
Li,
a
Joseph O.
Adebanjo,
a
Monika R.
Patterson,
b
H. V. Rasika
Dias
*b
and
Mohammad A.
Omary
*a
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.
- This article is part of the themed collection: Spotlight Collection: Fluorinated ligands
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