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1 article(s) from Kunz, Doris

Experimental and theoretical investigations on the high-electron donor character of pyrido-annelated N-heterocyclic carbenes

Michael Nonnenmacher,
Dominik M. Buck and
Doris Kunz

Beilstein J. Org. Chem. 2016, 12, 1884–1896, doi:10.3762/bjoc.12.178

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Graphical Abstract

Figure 1: Left: resonance hybrid of the dipyrido carbenes dipiy and dipiy^tBu. Right: two canonical forms of t...

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Scheme 1: Preparation of the ¹³CO substituted rhodium complexes 2 bearing the dipyrido-annelated carbenes dip...

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Figure 2: ¹³C NMR spectra (carbonyl region, 125 MHz) of the reaction of 1a with ¹³CO under variable pressure ...

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Scheme 2: Proposed mechanism for the preferred exchange of the cis-CO ligand based on DFT-calculations (BP86 ...

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Figure 3: IR scale (cm⁻¹) to determine the overall electron-donor capacity of various N-heterocyclic carbenes...

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Figure 4: Highest occupied molecular orbitals for the dipyrido-annelated carbene dipiy. The σ-type carbene lo...

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Figure 5: Molecular orbitals of the Rh complexes II-Rh, III-Rh and 2a that show ligand-metal π-bonds.

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Published 23 Aug 2016

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