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000611900 245__ $$aNon‐Templated Assembly of D$_{5h}$‐Symmetric Pd$_5$L$_{10}$ Rings by Precise Ligand Angle Adjustment
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000611900 520__ $$aWe report a series of Pd(II)$_n$L$_{2n}$ coordination rings for whichnuclearity is controlled by the binding angle of the correspondingbis-monodentate bridging ligands. Judicious choice of theangle within a family of rather rigid ligands allowed for the firsttimeto synthesize a homoleptic five-membered Pd$_5$L$_{10}$ ring thatdoes not require any template to form. We demonstrate thatcontrol over the ring size is maintained both in the solid-,solution-, and gas-phase. Two X-ray structures of five-memberedrings from ligands with ideal angles (yielding a perfectpentagonal ring) vs. suboptimal angles (resulting in a highlydistorted structure) illustrate the importance of the correctligand geometry. A mathematical model for estimating theexpected ring size based on the ligand angle was derived andDFT computations show that ring-strain is the major factordetermining the assembly outcome.
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000611900 7001_ $$aKulas, Milan D.$$b1
000611900 7001_ $$0P:(DE-H253)PIP1009920$$aHolstein, Julian J.$$b2
000611900 7001_ $$0P:(DE-H253)PIP1031561$$aClever, Guido$$b3$$eCorresponding author
000611900 77318 $$2Crossref$$3journal-article$$a10.1002/chem.202400132$$bWiley$$d2024-03-18$$n27$$tChemistry – A European Journal$$v30$$x0947-6539$$y2024
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000611900 999C5 $$2Crossref$$uThe binding angle refers here to the angle between the two donor vectors (vector from C4 to N1 in the pyridines) of the free ligand. For ligandL4 withmeta-pyridines the angle of the flat ligand was used whereas forL1 L2 andL3 the angle was calculated from the DFT-optimized ligand (B3LYP/Def2SVP).
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