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A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the Cp*RuCl (Cp* = η5-C5Me5) moiety : insight into stereoelectronic differences between unsaturated and saturated NHC ligands

(2003) ORGANOMETALLICS. 22(21). p.4322-4326
Author
Organization
Abstract
Combined solution calorimetric and quantum mechanics studies of reactions involving saturated and unsaturated N-heterocyclic carbene (NHC) ligands show that the difference in their relative bond dissociation energies is very small (1 kcal.mol(-1)). Structural and computational studies reveal small metric parameter differences. These observations in conjunction with relative reactivity profiles of NHC-modified ruthenium-based olefin metathesis catalysts suggest that very small changes in the donor properties of the NHC ligands can translate into significant differences in catalytic properties.
Keywords
OLEFIN METATHESIS CATALYSTS, RING-CLOSING METATHESIS, TERTIARY PHOSPHINE-LIGANDS, CROSS-METATHESIS, IMIDAZOL-2-YLIDENE LIGANDS, TRISUBSTITUTED ALKENES, RUTHENIUM CATALYSTS, ORGANIC-SYNTHESIS, NEW-GENERATION, HERBARUMIN-I

Citation

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MLA
Hillier, AC, et al. “A Combined Experimental and Theoretical Study Examining the Binding of N-Heterocyclic Carbenes (NHC) to the Cp*RuCl (Cp* = Η5-C5Me5) Moiety : Insight into Stereoelectronic Differences between Unsaturated and Saturated NHC Ligands.” ORGANOMETALLICS, vol. 22, no. 21, 2003, pp. 4322–26.
APA
Hillier, A., Sommer, W., Yong, B., Petersen, J., Cavallo, L., & Nolan, S. (2003). A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the Cp*RuCl (Cp* = η5-C5Me5) moiety : insight into stereoelectronic differences between unsaturated and saturated NHC ligands. ORGANOMETALLICS, 22(21), 4322–4326.
Chicago author-date
Hillier, AC, WJ Sommer, BS Yong, JL Petersen, L Cavallo, and Steven Nolan. 2003. “A Combined Experimental and Theoretical Study Examining the Binding of N-Heterocyclic Carbenes (NHC) to the Cp*RuCl (Cp* = Η5-C5Me5) Moiety : Insight into Stereoelectronic Differences between Unsaturated and Saturated NHC Ligands.” ORGANOMETALLICS 22 (21): 4322–26.
Chicago author-date (all authors)
Hillier, AC, WJ Sommer, BS Yong, JL Petersen, L Cavallo, and Steven Nolan. 2003. “A Combined Experimental and Theoretical Study Examining the Binding of N-Heterocyclic Carbenes (NHC) to the Cp*RuCl (Cp* = Η5-C5Me5) Moiety : Insight into Stereoelectronic Differences between Unsaturated and Saturated NHC Ligands.” ORGANOMETALLICS 22 (21): 4322–4326.
Vancouver
1.
Hillier A, Sommer W, Yong B, Petersen J, Cavallo L, Nolan S. A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the Cp*RuCl (Cp* = η5-C5Me5) moiety : insight into stereoelectronic differences between unsaturated and saturated NHC ligands. ORGANOMETALLICS. 2003;22(21):4322–6.
IEEE
[1]
A. Hillier, W. Sommer, B. Yong, J. Petersen, L. Cavallo, and S. Nolan, “A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the Cp*RuCl (Cp* = η5-C5Me5) moiety : insight into stereoelectronic differences between unsaturated and saturated NHC ligands,” ORGANOMETALLICS, vol. 22, no. 21, pp. 4322–4326, 2003.
@article{8170358,
  abstract     = {Combined solution calorimetric and quantum mechanics studies of reactions involving saturated and unsaturated N-heterocyclic carbene (NHC) ligands show that the difference in their relative bond dissociation energies is very small (1 kcal.mol(-1)). Structural and computational studies reveal small metric parameter differences. These observations in conjunction with relative reactivity profiles of NHC-modified ruthenium-based olefin metathesis catalysts suggest that very small changes in the donor properties of the NHC ligands can translate into significant differences in catalytic properties.},
  author       = {Hillier, AC and Sommer, WJ and Yong, BS and Petersen, JL and Cavallo, L and Nolan, Steven},
  issn         = {0276-7333},
  journal      = {ORGANOMETALLICS},
  keywords     = {OLEFIN METATHESIS CATALYSTS,RING-CLOSING METATHESIS,TERTIARY PHOSPHINE-LIGANDS,CROSS-METATHESIS,IMIDAZOL-2-YLIDENE LIGANDS,TRISUBSTITUTED ALKENES,RUTHENIUM CATALYSTS,ORGANIC-SYNTHESIS,NEW-GENERATION,HERBARUMIN-I},
  language     = {eng},
  number       = {21},
  pages        = {4322--4326},
  title        = {A combined experimental and theoretical study examining the binding of N-heterocyclic carbenes (NHC) to the Cp*RuCl (Cp* = η5-C5Me5) moiety : insight into stereoelectronic differences between unsaturated and saturated NHC ligands},
  url          = {http://dx.doi.org/10.1021/om034016k},
  volume       = {22},
  year         = {2003},
}

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