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Volumn 46, Issue 24, 2007, Pages 4566-4569

From the alkyllithium aggregate [{(nBuLi)2·PMDTA} 2] to lithiated PMDTA

Author keywords

Aggregation; Alkyllithium compounds; Butyllithium; Lithiation; N ligands

Indexed keywords

AGGLOMERATION; AMINES; DEPROTONATION; LIGANDS; MOLECULAR STRUCTURE;

EID: 34250743188     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200605105     Document Type: Article
Times cited : (61)

References (50)
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    • Examples of monomeric PMDTA structures of hydrocarbons: a U. Schümann, J. Kopf, E. Weiss, Angew. Chem. 1985, 97, 222;
    • Examples of monomeric PMDTA structures of hydrocarbons: a) U. Schümann, J. Kopf, E. Weiss, Angew. Chem. 1985, 97, 222;
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    • 0036025593 scopus 로고    scopus 로고
    • 2-symmetric dimer: J. Arnold, V. Knapp, J. A. R. Schmidt. A. Shafir, J. Chem. Soc. Dalton Trans. 2002, 3273.
    • 2-symmetric dimer: J. Arnold, V. Knapp, J. A. R. Schmidt. A. Shafir, J. Chem. Soc. Dalton Trans. 2002, 3273.
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    • Angew. Chem. Int. Ed. 2005, 44, 3136;
    • (2005) Chem. Int. Ed , vol.44 , pp. 3136
    • Angew1
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    • 34250757219 scopus 로고    scopus 로고
    • 2 = 0.2170 (all data); ...
    • 2) contain the supplementary crystallographic data for this paper. These data can be obtained free of chatge from the Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_ request/cif.
  • 32
    • 0034301850 scopus 로고    scopus 로고
    • Selected examples of mixed nBuLi structures: a C. Strohmann, B. C. Abele, Organometallics 2000, 19, 4223;
    • Selected examples of mixed nBuLi structures: a) C. Strohmann, B. C. Abele, Organometallics 2000, 19, 4223;
  • 37
    • 16244376524 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2005, 44, 1448;
    • (2005) Chem. Int. Ed , vol.44 , pp. 1448
    • Angew1
  • 39
    • 34250745332 scopus 로고    scopus 로고
    • The next-largest Li-C distances in an nBuLi unit are found in the nBuLi hexamer.
    • The next-largest Li-C distances in an nBuLi unit are found in the nBuLi hexamer.
  • 40
    • 34250758910 scopus 로고    scopus 로고
    • Schakal 99, E. Keller, Universität Freiburg, 1999;
    • a) Schakal 99, E. Keller, Universität Freiburg, 1999;
  • 41
    • 34250704367 scopus 로고    scopus 로고
    • ETH Zürich (Switzerland), Zürich
    • b) Molekel, S. Portmann, ETH Zürich (Switzerland), Zürich, 2001.
    • (2001)
    • Molekel1    Portmann, S.2
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    • 34250755048 scopus 로고    scopus 로고
    • Gaussian 03 (Revision B.04), M. J. Frisch et al., see the Supporting Information
    • Gaussian 03 (Revision B.04), M. J. Frisch et al., see the Supporting Information
  • 49
    • 34250771717 scopus 로고    scopus 로고
    • In addition to both of the C1symmetric transition states TS-3 and TS-4 (two simultaneous deprotonations, we also calculated the energies (SCF) of the corresponding C1, symmetric transition states TS-3-C1 and TS-4-C1 (one deprotonation, which differ only slightly from the half barriers for TS-3 and TS-4 see the Supporting Information, Because the size of the molecule only allowed a frequency calculation for the Ci-symmetric transition states, these values are given and discussed
    • i-symmetric transition states, these values are given and discussed.
  • 50
    • 34250700113 scopus 로고    scopus 로고
    • -1 too high for the description of the experimental observations in solution, but this deviation is within the expected error of a calculation of the energies of stationary points of polar alkyl metal compounds by the B3LYP/ 6-31 + G method.
    • -1 too high for the description of the experimental observations in solution, but this deviation is within the expected error of a calculation of the energies of stationary points of polar alkyl metal compounds by the B3LYP/ 6-31 + G method.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.