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Dative behavior of N-heterocyclic carbenes (NHCs) with selenium in Se-NHC compounds
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Abstract
N-heterocyclic carbenes (NHCs) are an eminent class of carbenes having a heterocyclic ring in which a divalent carbon atom is attached directly to a nitrogen atom. In the NHCs, the donation of lone pair is another important research in the dative bonding and not only in NHCs the dative bond plays a functionalized role in the other classes of complex formation like ylidones L → E ← L and carbones L → C ← L. M–NHC bond is L-M sigma-dative bond and NHCs are considered as strong sigma-donor ligands. The clear picture of the M–NHC bond can be better understood by M–NHC pi-interaction. M-L pi interaction is comprised of two steps. One is L → M sigma-donation and M → L π* back bonding. This dative donor nature of NHC and also its behavior in organoselenium is studied through DFT in which it’s optimized structure, bond lengths, molecular vibrations are calculated.
Title: Dative behavior of N-heterocyclic carbenes (NHCs) with selenium in Se-NHC compounds
Description:
Abstract
N-heterocyclic carbenes (NHCs) are an eminent class of carbenes having a heterocyclic ring in which a divalent carbon atom is attached directly to a nitrogen atom.
In the NHCs, the donation of lone pair is another important research in the dative bonding and not only in NHCs the dative bond plays a functionalized role in the other classes of complex formation like ylidones L → E ← L and carbones L → C ← L.
M–NHC bond is L-M sigma-dative bond and NHCs are considered as strong sigma-donor ligands.
The clear picture of the M–NHC bond can be better understood by M–NHC pi-interaction.
M-L pi interaction is comprised of two steps.
One is L → M sigma-donation and M → L π* back bonding.
This dative donor nature of NHC and also its behavior in organoselenium is studied through DFT in which it’s optimized structure, bond lengths, molecular vibrations are calculated.
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