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Volumn 70, Issue 20, 2005, Pages 7816-7828

A DFT theoretical study of the condensation of aggregates of sp2 organolithium compounds on formaldehyde

Author keywords

[No Author keywords available]

Indexed keywords

AGGLOMERATION; COMPLEXATION; CONDENSATION; DIMERS; FORMALDEHYDE; LITHIUM COMPOUNDS; MONOMERS; PROBABILITY DENSITY FUNCTION;

EID: 25444525777     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo050524n     Document Type: Article
Times cited : (23)

References (78)
  • 21
    • 84989513355 scopus 로고
    • See for instance the remarkable X-ray characterization of the preliminary ester-lithium amide interaction by Williard, P. G.; Lin, Q. Y.; Lochman, L. J. Am. Chem. Soc. 1992, 114, 348-350.
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 348-350
    • Williard, P.G.1    Lin, Q.Y.2    Lochman, L.3
  • 27
    • 0002419331 scopus 로고
    • See inter alia: (a) Knorr, R. Tetrahedron 1981, 37, 929-937.
    • (1981) Tetrahedron , vol.37 , pp. 929-937
    • Knorr, R.1
  • 34
    • 5944261746 scopus 로고
    • a) Perdew, J. P. Phys. Rev. 1986, B33, 8822-8824.
    • (1986) Phys. Rev. , vol.B33 , pp. 8822-8824
    • Perdew, J.P.1
  • 59
    • 0000964801 scopus 로고
    • Trost, B. M., Fleming, I., Eds.; Pergamon: New York
    • Review on the Lewis acid carbonyl complexation: Shambayati, S.; Schreiber, S. L. In Comprehensive Organic Synthesis; Trost, B. M., Fleming, I., Eds.; Pergamon: New York, 1991; Vol. 1, pp 283-324.
    • (1991) Comprehensive Organic Synthesis , vol.1 , pp. 283-324
    • Shambayati, S.1    Schreiber, S.L.2
  • 60
    • 0004025313 scopus 로고    scopus 로고
    • This document is available on-line (on July 30)
    • For details on the computation of polarization from NBO analysis, see: Glendening, E. D.; Reed, A. E.; Carpenter, J. E.; Weinhold, F. NBO 3.0 Program Manual. This document is available on-line (on July 30, 2005) at http://www.ccl.net/cca/software/MS-WIN95-NT/mopac6/nbo/NBO.HTM.
    • (2005) NBO 3.0 Program Manual
    • Glendening, E.D.1    Reed, A.E.2    Carpenter, J.E.3    Weinhold, F.4
  • 67
    • 0035250099 scopus 로고    scopus 로고
    • Only phenyllithium tetramers seem to have been previously studied by DFT: Kwon, O.; Sevin, F.; McKee, M. L. J. Phys. Chem. A 2001, 105, 913-922.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 913-922
    • Kwon, O.1    Sevin, F.2    McKee, M.L.3
  • 73
    • 85022533095 scopus 로고
    • For applications of α-amino-alcoholates in synthesis, see ref 5a and Comins, D. L. Synlett. 1992, 615-625.
    • (1992) Synlett. , pp. 615-625
    • Comins, D.L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.