Carbon dioxide uptake by [Cu(bpca)]⁺: synthesis, crystal structure, and magnetic properties of {[Na(H₂O)₂][Cu₂(bpca)₂(CO₃)(HCO₃)]}_n [Hbpca = bis(2-pyridylcarbonyl)amide]

Abstract

Herein we report on the preparation, spectroscopic and thermal characterization, structural study, and magnetic investigation of a new heterobimetallic coordination polymer (CP) of formula {[Na(H2O)2][Cu2(bpca)2(CO3)(HCO3)]}n(1) [Hbpca = bis(2-pyridylcarbonyl)amide], which...

Intensity and lifetime ratiometric luminescent thermometer based on a Tb(iii) coordination polymer

“…During the synthesis of 1 , several experiments were conducted. This is because it is widely recognized that factors such as temperature, molar ratio of reagents, geometric characteristics, and coordination sites of the organic ligands 27–30 can have a significant impact on crystal growth. Moreover, the choice of synthetic strategies, such as stirring, 9,31 diffusion, 32 solvothermal (particularly when mixed organic solvents are employed), 8 and hydrothermal (used when water is the only solvent), 22,33 can also influence the process.…”

Hydrolysis of ester phosphates mediated by a copper complex

“…41–43 ω B97X-D3 is a highly transferable functional, due to the low number of parameters in its construction. 44,45 Additionally, the DZVP basis set in conjunction with MOLOPT-GTH potentials has been extensively used in the study of copper–ligand interactions, 46–48 giving good results even with rVV10, PBE0 and HSE06 functionals. 49–51…”