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Volumn 6, Issue 2, 2000, Pages 153-160

Exchange of Cl+ between lone-pair donors and π-donors: A computational study

Author keywords

Ab initio calculations; Chlorine cation; Chloriranium ion; Chlorirenium ion; Exchange reactions; G2

Indexed keywords


EID: 0034561620     PISSN: 14690667     EISSN: None     Source Type: Journal    
DOI: 10.1255/ejms.335     Document Type: Article
Times cited : (7)

References (33)
  • 7
    • 0027957399 scopus 로고
    • See, for example: (a) S.E. Pipko, Y.V. Balitzky, A.D. Sinitsa and Y.G. Gololobov, Tetrahedron Lett. 35, 165 (1994); (b) F. Carré, C. Chuit, R.J.P. Corriu, A. Mehdi and C. Reyé, J. Organomet. Chem. 529, 59 (1997); (c) J.-P. Bezombes, F. Carré, C. Chuit, R.J.P. Corriu, A. Mehdi and C. Reyé, J. Organomet. Chem. 535, 81 (1997).
    • (1994) Tetrahedron Lett. , vol.35 , pp. 165
    • Pipko, S.E.1    Balitzky, Y.V.2    Sinitsa, A.D.3    Gololobov, Y.G.4
  • 8
    • 0031568642 scopus 로고    scopus 로고
    • See, for example: (a) S.E. Pipko, Y.V. Balitzky, A.D. Sinitsa and Y.G. Gololobov, Tetrahedron Lett. 35, 165 (1994); (b) F. Carré, C. Chuit, R.J.P. Corriu, A. Mehdi and C. Reyé, J. Organomet. Chem. 529, 59 (1997); (c) J.-P. Bezombes, F. Carré, C. Chuit, R.J.P. Corriu, A. Mehdi and C. Reyé, J. Organomet. Chem. 535, 81 (1997).
    • (1997) J. Organomet. Chem. , vol.529 , pp. 59
    • Carré, F.1    Chuit, C.2    Corriu, R.J.P.3    Mehdi, A.4    Reyé, C.5
  • 9
    • 0031570209 scopus 로고    scopus 로고
    • See, for example: (a) S.E. Pipko, Y.V. Balitzky, A.D. Sinitsa and Y.G. Gololobov, Tetrahedron Lett. 35, 165 (1994); (b) F. Carré, C. Chuit, R.J.P. Corriu, A. Mehdi and C. Reyé, J. Organomet. Chem. 529, 59 (1997); (c) J.-P. Bezombes, F. Carré, C. Chuit, R.J.P. Corriu, A. Mehdi and C. Reyé, J. Organomet. Chem. 535, 81 (1997).
    • (1997) J. Organomet. Chem. , vol.535 , pp. 81
    • Bezombes, J.-P.1    Carré, F.2    Chuit, C.3    Corriu, R.J.P.4    Mehdi, A.5    Reyé, C.6
  • 23
    • 0345965674 scopus 로고    scopus 로고
    • MOLPRO 96 is a package of ab initio programs written by H.J. Werner and P.J. Knowles with contributions from J. Almlof, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hempel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor and R. Lindh
    • MOLPRO 96 is a package of ab initio programs written by H.J. Werner and P.J. Knowles with contributions from J. Almlof, R.D. Amos, M.J.O. Deegan, S.T. Elbert, C. Hempel, W. Meyer, K. Peterson, R. Pitzer, A.J. Stone, P.R. Taylor and R. Lindh.
  • 24
    • 0004035344 scopus 로고
    • Ed by S.R. Langhoff. Kluwer Academic Publishers, Dordrecht
    • For recent reviews on G2 theory, see: (a) L.A. Curtiss and K. Raghavachari, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Ed by S.R. Langhoff. Kluwer Academic Publishers, Dordrecht (1995); (b) K. Raghavachari and L.A. Curtiss, in Modern Electronic Structure Theory, Ed by D.R. Yarkony. World Scientific, Singapore (1995); (c) L.A. Curtiss, K. Raghavachari, P.C. Redfern and J.A. Pople, J. Chem. Phys. 106, 1063 (1997).
    • (1995) Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
    • Curtiss, L.A.1    Raghavachari, K.2
  • 25
    • 0003418036 scopus 로고
    • Ed by D.R. Yarkony. World Scientific, Singapore
    • For recent reviews on G2 theory, see: (a) L.A. Curtiss and K. Raghavachari, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Ed by S.R. Langhoff. Kluwer Academic Publishers, Dordrecht (1995); (b) K. Raghavachari and L.A. Curtiss, in Modern Electronic Structure Theory, Ed by D.R. Yarkony. World Scientific, Singapore (1995); (c) L.A. Curtiss, K. Raghavachari, P.C. Redfern and J.A. Pople, J. Chem. Phys. 106, 1063 (1997).
    • (1995) Modern Electronic Structure Theory
    • Raghavachari, K.1    Curtiss, L.A.2
  • 26
    • 0000109748 scopus 로고    scopus 로고
    • For recent reviews on G2 theory, see: (a) L.A. Curtiss and K. Raghavachari, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, Ed by S.R. Langhoff. Kluwer Academic Publishers, Dordrecht (1995); (b) K. Raghavachari and L.A. Curtiss, in Modern Electronic Structure Theory, Ed by D.R. Yarkony. World Scientific, Singapore (1995); (c) L.A. Curtiss, K. Raghavachari, P.C. Redfern and J.A. Pople, J. Chem. Phys. 106, 1063 (1997).
    • (1997) J. Chem. Phys. , vol.106 , pp. 1063
    • Curtiss, L.A.1    Raghavachari, K.2    Redfern, P.C.3    Pople, J.A.4
  • 30
    • 0347226903 scopus 로고    scopus 로고
    • Ed by W.G. Mallard and P.J. Linstrom. National Institute of Standards and Technology, Gaithersburg MD
    • 2S), 16.03 (HF) and 12.74 (HCl) (eV). These are taken to reflect the lone-pair energy, as suggested in Reference 24. The IEs are obtained from E.P. Hunter and S.G. Lias, NIST Standard Database Number 69, November 1998, Ed by W.G. Mallard and P.J. Linstrom. National Institute of Standards and Technology, Gaithersburg MD (http://webbook.nist.gov).
    • NIST Standard Database Number 69, November 1998
    • Hunter, E.P.1    Lias, S.G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.