NDLI: What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of <i>N</i>-heterocyclic carbenes?

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What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

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Chemical Science Vol - 6 Issue - 2

Chemical Science Vol -5

Chemical Science Vol -4

Chemical Science Vol -3

Chemical Science Vol -2

Chemical Science Vol -1

What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

Content Provider	Royal Society of Chemistry (RSC)
Author	Vummaleti, Sai V. C. Cavallo, Luigi Gómez-Suárez, Adrián Nelson, David J. Cordes, David B. Poater, Albert Slawin, Alexandra M. Z. Nolan, Steven P.
Copyright Year	2015
Abstract	The electronic nature of the interaction of NHCs with metal centres is of interest when exploring their properties, how these properties influence those of metal complexes, and how these properties might depend on ligand structure. Selenourea and phosphinidene complexes have been proposed to allow the measurement of the π-accepting ability of NHCs, independent of their σ-donating ability, via the collection of 77Se or 31P NMR spectra, respectively. Herein, the synthesis and characterisation of selenoureas derived from a range of imidazol-2-ylidenes, 4,5-dihydroimidazol-2-ylidenes and triazol-2-ylidenes are documented. Computational studies are used to explore the link between the shielding of the selenium centre and the electronic properties of the NHCs. Results show that δSe is correlated to the energy gap between a filled lone pair orbital on Se and the empty π* orbital corresponding to the Se–NHC bond. Bond energy decomposition analysis indicated no correlation between the orbital σ-contribution to bonding and the chemical shielding, while a good correlation was found between the π-contribution to bonding and the chemical shielding, confirming that this technique is indeed able to quantify the ability of NHCs to accept π-electron density. Calculations conducted on phosphinidene adducts yielded similar results. With the link between δSe and δP and π-back bonding ability clearly established, these compounds represent useful ways in which to fully understand and quantify this aspect of the electronic properties of NHCs.
Starting Page	1895
Ending Page	1904
Page Count	10
File Format	HTM / HTML PDF
ISSN	20416520
Volume Number	6
Issue Number	3
Journal	Chemical Science
DOI	10.1039/c4sc03264k
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Subscribed
Subject Keyword	Phosphinidene Lone pair Ligand Chemical bond Nuclear magnetic resonance Selenium Bond energy Selenourea
Content Type	Text
Resource Type	Article
Subject	Chemistry

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Isoselective Polymerization of rac-Lactide by Aluminum Complexes of N-Heterocyclic Carbene-Phosphinidene Adducts.

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The Influence of C(sp 3 )H–Selenium Interactions on the 77 Se NMR Quantification of the π‐Accepting Properties of Carbenes

What can metal-ligand bonding energetics teach us about stoichiometric and catalytic organometallic chemistry?

What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

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