Zinc-based cyclens containing pyridine and cross-bridges: X-ray and DFT structures, Lewis acidity, gas-phase acidity, and pKa values

Douglas P. Linder,Blake Vinson, Rylee Parks,Audra Crisp,Ashtyn G. McAdoo, Jonathan P. Ebel,Tuyet Hoang, Houston Smith,Allen G. Oliver,Timothy J. Hubin

Polyhedron（2022）

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摘要

In a series of [(R-cyclen)Zn−OH2]2+ complexes, the Bronsted-Lowry acidity (proton donating ability) of the coordinated water does not directly correlate with the Zn−OH2 bond length, which does not directly correlate with the Lewis acidity (Zn−OH2 bond strength) of the [(R-cyclen)Zn(II)] complex.

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关键词

Zinc azamacrocycle,Cyclen,Lewis acid,Density functional theory,X-ray diffraction

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