Extended Data Fig. 1: Natural Resonance Theory analysis for the surrogates of A, B and 2. | Nature Chemistry

Extended Data Fig. 1: Natural Resonance Theory analysis for the surrogates of A, B and 2.

From: A bis(silylene)-stabilized diphosphorus compound and its reactivity as a monophosphorus anion transfer reagent

Extended Data Fig. 1

a, Natural Resonance Theory analysis for surrogate of A. Bulky substituents of the cAAC ligand are replaced by hydrogens. Resonance structures with more than 1 weight percent is shown. b, Natural Resonance Theory analysis for surrogate of B. Bulky substituents of the NHC ligand are replaced by hydrogens. No covalent reference structure was found thus NRT analysis was not successful and these results could implicitly point to the importance of donor-acceptor reference structure. c, Natural Resonance Theory analysis for surrogate of 2. Ph and tBu substituents of the amidinate ligand are replaced by hydrogens and the xanthene backbone were replaced by two methyl groups. No covalent reference structure was found thus NRT analysis was not successful and these results could implicitly point to the importance of donor-acceptor reference structure.

Back to article page