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Volumn 28, Issue 18, 2009, Pages 5424-5431

Geometric and electronic structure of a C1-symmetric ruthenium-Aryloxide metathesis catalyst: An experimental and computational study

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION BAND; ANIONIC STRUCTURE; ARYLOXIDE; COMPUTATIONAL STUDIES; ELECTRONIC ABSORPTION; LOWER ENERGY BARRIERS; METATHESIS CATALYSTS;

EID: 70349333050     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om900429n     Document Type: Article
Times cited : (19)

References (64)
  • 24
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    • Ref 3a demonstrates that the metathesis activity of cis-catecholate catalysts can be very high, once initiation is effected.
    • (e) Ben-Asuly, A.; Tzur, E.; Diesendruck, C. E.; Sigalov, M.; Goldberg, I.; Lemcoff, N. G. Organometallics 2008, 27, 811-813. Ref 3a demonstrates that the metathesis activity of cis-catecholate catalysts can be very high, once initiation is effected.
    • (2008) Organometallics , vol.27 , pp. 811-813
    • Ben-Asuly, A.1    Tzur, E.2    Diesendruck, C.E.3    Sigalov, M.4    Goldberg, I.5    Lemcoff, N.G.6
  • 28
    • 33750328005 scopus 로고    scopus 로고
    • NHC bond on the NMR time scale at room temperature is not uncommon in aryl-NHC complexes. Selected examples: (a)
    • NHC bond on the NMR time scale at room temperature is not uncommon in aryl-NHC complexes. Selected examples: (a) Dible, B. R.; Sigman, M. S. Inorg. Chem. 2006, 45, 8430-8441.
    • (2006) Inorg. Chem. , vol.45 , pp. 8430-8441
    • Dible, B.R.1    Sigman, M.S.2
  • 32
    • 53849139133 scopus 로고    scopus 로고
    • For a recent exception, documented within a cis-anionic derivative, see ref 5e.
    • (e) Leuthaeusser, S.; Schmidts, V; Thiele, C. M.; Plenio, H. Chem.-Eur. J. 2008, 14, 5465-5481. For a recent exception, documented within a cis-anionic derivative, see ref 5e.
    • (2008) Chem.-Eur. J. , vol.14 , pp. 5465-5481
    • Leuthaeusser, S.1    Schmidts, V.2    Thiele, C.M.3    Plenio, H.4
  • 38
    • 70349333664 scopus 로고    scopus 로고
    • Cooling to 223 K did not effect complete decoalescence. Heating to 323 K resulted in some sharpening of the signals, but coalescence was incomplete, and decomposition was observed over the time scale of analysis.
    • Cooling to 223 K did not effect complete decoalescence. Heating to 323 K resulted in some sharpening of the signals, but coalescence was incomplete, and decomposition was observed over the time scale of analysis.
  • 40
    • 70349322530 scopus 로고    scopus 로고
    • -1, respectively.
    • -1, respectively.
  • 41
    • 70349305242 scopus 로고    scopus 로고
    • For a valuable related discussion, see ref 9a.
    • For a valuable related discussion, see ref 9a.
  • 46
  • 47
    • 84902424351 scopus 로고    scopus 로고
    • Nuclear magnetic resonance spectroscopy
    • Lever, A. B. P., Ed.; Elsevier: Oxford
    • Pregosin, P. S.; Rueegger, H., Nuclear magnetic resonance spectroscopy. In Comprehensive Coordination Chemistry II; Lever, A. B. P., Ed.; Elsevier: Oxford, 2004; Vol.2, pp 1-35.
    • (2004) Comprehensive Coordination Chemistry II , vol.2 , pp. 1-35
    • Pregosin, P.S.1    Rueegger, H.2
  • 49
    • 70349311383 scopus 로고    scopus 로고
    • 0 groups on opposite rings. A distance of 2.83 Å is calculated for the DFT-optimized structure of 5, this value dropping to 2.27 À if rotation is permitted. In the crystal structure of 3b, the Me0 groups on opposite mesityl rings are as little as 2.75 A apart, well within the
    • 0 groups on opposite rings. A distance of 2.83 Å is calculated for the DFT-optimized structure of 5, this value dropping to 2.27 À if rotation is permitted. In the crystal structure of 3b, the Me0 groups on opposite mesityl rings are as little as 2.75 A apart, well within the 4-5 À internuclear distance for direct NOE correlations. (Distances based on analysis of the crystallographic data for 3b, obtained from the Cambridge Crystallographic Data Centre (CCDC143577) at www.ccdc.cam.ac.uk/data- request/cif).
  • 50
    • 70349319496 scopus 로고    scopus 로고
    • 13C HOESY Correlations between the Mesityl or Pyridine Protons and the Carbons of the Pentabromoaryloxide Ring Could in Principle Provide Positive Confirmation of the Trans-anionic Structure. These Experiments Are Hampered, However, by the Very Poor Signal-tonoise Ratios Characteristic of These Quaternary Carbons, Each of Which Bears A Quadrupolar Nuclide. the Relative Weakness of the NOE Enhancement (Ca. 2% of the Original Signal) Is Insufficient to Compensate for These Effects.
    • 13C HOESY correlations between the mesityl or pyridine protons and the carbons of the pentabromoaryloxide ring could in principle provide positive confirmation of the trans-anionic structure. These experiments are hampered, however, by the very poor signal-tonoise ratios characteristic of these quaternary carbons, each of which bears a quadrupolar nuclide. The relative weakness of the NOE enhancement (ca. 2% of the original signal) is insufficient to compensate for these effects.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.