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Quantifying and understanding the steric properties of N-heterocyclic carbenes

(2017) CHEMICAL COMMUNICATIONS. 53(18). p.2650-2660
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Abstract
This Feature Article presents and discusses the use of different methods to quantify and explore the steric impact of N-heterocyclic carbene (NHC) ligands. These include (a) the percent buried volume (% V-bur), which provides a convenient single number to measure steric impact and (b) steric maps, which provide a graphical representation of the steric profile of a ligand using colour-coded contour maps. A critical discussion of the scope and limitations of these tools is presented, along with some examples of their use in organometallic chemistry and catalysis. This Article should provide all users of NHCs, from organic, organometallic, and inorganic chemistry backgrounds, with an appreciation of how these tools can be used to quantify and compare their steric properties.
Keywords
COINAGE METAL-COMPLEXES, PI-ACCEPTOR PROPERTIES, GOLD(I) COMPLEXES, ORGANOMETALLIC CHEMISTRY, NHC COMPLEXES, CYCLIC (ALKYL)(AMINO)CARBENES, STRUCTURAL-CHARACTERIZATION, HOMOGENEOUS CATALYSIS, CHEMICAL-SHIFTS, IPR-ASTERISK

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Citation

Please use this url to cite or link to this publication:

Chicago
Gomez-Suarez, Adrian, David J Nelson, and Steven Nolan. 2017. “Quantifying and Understanding the Steric Properties of N-heterocyclic Carbenes.” Chemical Communications 53 (18): 2650–2660.
APA
Gomez-Suarez, A., Nelson, D. J., & Nolan, S. (2017). Quantifying and understanding the steric properties of N-heterocyclic carbenes. CHEMICAL COMMUNICATIONS, 53(18), 2650–2660.
Vancouver
1.
Gomez-Suarez A, Nelson DJ, Nolan S. Quantifying and understanding the steric properties of N-heterocyclic carbenes. CHEMICAL COMMUNICATIONS. 2017;53(18):2650–60.
MLA
Gomez-Suarez, Adrian, David J Nelson, and Steven Nolan. “Quantifying and Understanding the Steric Properties of N-heterocyclic Carbenes.” CHEMICAL COMMUNICATIONS 53.18 (2017): 2650–2660. Print.
@article{8536728,
  abstract     = {This Feature Article presents and discusses the use of different methods to quantify and explore the steric impact of N-heterocyclic carbene (NHC) ligands. These include (a) the percent buried volume (\% V-bur), which provides a convenient single number to measure steric impact and (b) steric maps, which provide a graphical representation of the steric profile of a ligand using colour-coded contour maps. A critical discussion of the scope and limitations of these tools is presented, along with some examples of their use in organometallic chemistry and catalysis. This Article should provide all users of NHCs, from organic, organometallic, and inorganic chemistry backgrounds, with an appreciation of how these tools can be used to quantify and compare their steric properties.},
  author       = {Gomez-Suarez, Adrian and Nelson, David J and Nolan, Steven},
  issn         = {1359-7345},
  journal      = {CHEMICAL COMMUNICATIONS},
  language     = {eng},
  number       = {18},
  pages        = {2650--2660},
  title        = {Quantifying and understanding the steric properties of N-heterocyclic carbenes},
  url          = {http://dx.doi.org/10.1039/c7cc00255f},
  volume       = {53},
  year         = {2017},
}

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