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- W2016357890 abstract "Abstract Donor–acceptor interactions play a dominant role in descriptions of various chemical systems. The interactions of main‐group Lewis bases with main‐group Lewis acids has attracted interest for many years. In this article, donor–acceptor interactions in NHC–EX 3 (NHC = normal and abnormal N‐heterocyclic carbene; E = B, Al, Ga; X = H, F, Cl, OH, NH 2 , CH 3 , CF 3 ) adducts have been investigated within the realms of DFT and atoms‐in‐molecules (AIM) theory. Substituents attached to the E atom have a profound effect on the strength and dissociation energies of the NHC–E bond. AIM analysis suggests that these donor–acceptor bonds have significant covalent character, which follows the order Al < Ga < B." @default.
- W2016357890 created "2016-06-24" @default.
- W2016357890 creator A5001404935 @default.
- W2016357890 creator A5030138733 @default.
- W2016357890 creator A5063474764 @default.
- W2016357890 date "2013-05-14" @default.
- W2016357890 modified "2023-10-10" @default.
- W2016357890 title "Donor–Acceptor Complexes of Normal and Abnormal N‐Heterocyclic Carbenes with Group 13 (B, Al, Ga) Elements: A Combined DFT and Atoms‐in‐Molecules Study" @default.
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- W2016357890 doi "https://doi.org/10.1002/ejic.201300329" @default.
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