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Volumn 130, Issue 8, 1997, Pages 1085-1097

On the oxenoid character of alkylperoxy anions and their lithium compounds: A combined mass-spectrometric and theoretical investigation

Author keywords

Density functional theory ; Kinetic energy release; Mass spectrometry ; Oxenoids ; Peroxides

Indexed keywords


EID: 0012855572     PISSN: 00092940     EISSN: None     Source Type: Journal    
DOI: 10.1002/cber.19971300810     Document Type: Article
Times cited : (19)

References (118)
  • 3
    • 33745359486 scopus 로고
    • 1228; Angen: Chem. Int. Ed. Engl. 1994, 33, 1161.
    • [1c] J G. Boche, F. Bosold, J. C. W. Lohrenz, Angew: Chem. 1994, 106, 1228; Angen: Chem. Int. Ed. Engl. 1994, 33, 1161.
    • (1994) Angew: Chem. , vol.106
    • Boche, J.G.1    Bosold, F.2    Lohrenz, J.C.W.3
  • 10
    • 84866211798 scopus 로고
    • 15; Angew. Chem. Int. Ed. Engl. 1967, 6, 41.
    • For reviews, see: [3a] G. Köbrich, Angew. Chem. 1967, 79, 15; Angew. Chem. Int. Ed. Engl. 1967, 6, 41.
    • (1967) Angew. Chem. , vol.79
    • Köbrich, G.1
  • 12
    • 84866221722 scopus 로고
    • 557; Augen: Chem. Int. Ed. Engl. 1972, 11, 473.
    • [3c] G. Köbrich, Augen: Chem. 1972, 84, 557; Augen: Chem. Int. Ed. Engl. 1972, 11, 473.
    • (1972) Augen: Chem. , vol.84
    • Köbrich, G.1
  • 15
    • 84866211794 scopus 로고
    • 1081; Angew. Cliem. Int. Ed. Eng!. 1993, 32, 1032.
    • For Li/Hal carbenoids, see: G. Boche, M. Marsch, A. Müller, K. Harms, Augen: Cliem. 1993, 705, 1081; Angew. Cliem. Int. Ed. Eng!. 1993, 32, 1032.
    • (1993) Augen: Cliem. , vol.705
    • Boche, G.1    Marsch, M.2    Müller, A.3    Harms, K.4
  • 18
    • 33745415280 scopus 로고    scopus 로고
    • [7b] P. Beak, A. Basha, B.
    • [7b] P. Beak, A. Basha, B.
  • 35
    • 33745372461 scopus 로고    scopus 로고
    • [12] Bond lengths given here are calculated at the BECKE3LYP/6-31 level of theory.
    • Bond lengths given here are calculated at the BECKE3LYP/6-31 level of theory.
  • 36
    • 33745390329 scopus 로고    scopus 로고
    • If not stated otherwise, all thermochemical data have been taken from: l'3a' S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, W. G. Mallard, Gas-Phase Ion and Neutral Thermochemistry, J. Pliys. Chem. Rev: Data, Suppl. 1, 1988.
    • If not stated otherwise, all thermochemical data have been taken from: l'3a' S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, W. G. Mallard, Gas-Phase Ion and Neutral Thermochemistry, J. Pliys. Chem. Rev: Data, Suppl. 1, 1988.
  • 40
    • 0000347048 scopus 로고
    • 349.
    • For reviews on the mass spectrometry of anions, see: [14a] J. H. Bowie, Mass Spectrom. Rev. 1990, 9, 349.
    • (1990) Mass Spectrom. Rev. , vol.9
    • Bowie, J.H.1
  • 43
    • 0006199827 scopus 로고
    • 7345.
    • For a discussion of the influence of high- and low-energy collisions and their use for structure elucidation, see: S. Chowdhury, A. G. Harrison, J. Am. Chem. Soc. 1988, 770, 7345.
    • (1988) J. Am. Chem. Soc. , vol.770
    • Chowdhury, S.1    Harrison, A.G.2
  • 45
    • 33745427604 scopus 로고
    • 484; Angew. Chem. Int. Ed. Engl. 1979, 75, 451.
    • [17bl R. D. Bowen, D. H. Williams, H. Schwarz, Angew. Chem. 1979, 91, 484; Angew. Chem. Int. Ed. Engl. 1979, 75, 451.
    • (1979) Angew. Chem. , vol.91
    • Bowen, R.D.1    Williams, D.H.2    Schwarz, H.3
  • 47
    • 33745381985 scopus 로고    scopus 로고
    • For previous reports on dished topped peaks in the mass spectra of fragmenting anions, see: [18a] J. H. Bowie, B. D. Williams in: A. Maccoll (ed.), Int. Rev Sci. Mass Spectrom., Phys. Chem. Ser. 2, Vol. 5, 1976, p. 89.
    • For previous reports on dished topped peaks in the mass spectra of fragmenting anions, see: [18a] J. H. Bowie, B. D. Williams in: A. Maccoll (ed.), Int. Rev Sci. Mass Spectrom., Phys. Chem. Ser. 2, Vol. 5, 1976, p. 89.
  • 61
    • 84866204009 scopus 로고    scopus 로고
    • [23b] A study of methanol and dimethyl ether oxide is in preparation: C. A. Schalley, J. Harvey, D. Schröder, H. Schwarz, R. Wrobel, W. Sander, unpublished results.
    • [23b] A study of methanol and dimethyl ether oxide is in preparation: C. A. Schalley, J. Harvey, D. Schröder, H. Schwarz, R. Wrobel, W. Sander, unpublished results.
  • 70
    • 85045589016 scopus 로고    scopus 로고
    • - ions was much too low for characterizing the product ion by MI/CA experiments.
    • - ions was much too low for characterizing the product ion by MI/CA experiments.
  • 71
    • 33745407121 scopus 로고    scopus 로고
    • Singe-point calculations at the BECKE3LYP/6-311++G** level of theory.
    • Singe-point calculations at the BECKE3LYP/6-311++G** level of theory.
  • 74
    • 33745372459 scopus 로고    scopus 로고
    • For earlier studies of carboxylates and isomeric ions, see, for example
    • For earlier studies of carboxylates and isomeric ions, see, for example:
  • 76
    • 0000359957 scopus 로고
    • 1375.[29c] P. G. Wenthold, R. R. Squires, J. Am. Chem. Soc. 1994, 776, 11890, and literature cited therein.
    • [29b] D. Antolovic, V. J. Shiner, E. R. Davidson, J. Am. Chem. Soc. 1988,110, 1375.[29c] P. G. Wenthold, R. R. Squires, J. Am. Chem. Soc. 1994, 776, 11890, and literature cited therein.
    • (1988) J. Am. Chem. Soc. , vol.110
    • Antolovic, D.1    Shiner, V.J.2    Davidson, E.R.3
  • 82
    • 33745389294 scopus 로고
    • 1565; Angew: Chem. Int. Ed. Engl. 1993, 32, 1501.
    • [30d] For a review of solid state structures of alkali alkoxides, see: E. Weiss, Angew. Chem. 1993, 705, 1565; Angew: Chem. Int. Ed. Engl. 1993, 32, 1501.
    • (1993) Angew. Chem. , vol.705
    • Weiss, E.1
  • 84
    • 33745372982 scopus 로고    scopus 로고
    • Larger clusters may also be formed with minimal intensities. However, they have not been observed in our El mass spectra of lithium tert-buloxide.
    • Larger clusters may also be formed with minimal intensities. However, they have not been observed in our El mass spectra of lithium tert-buloxide.
  • 85
    • 84866204001 scopus 로고    scopus 로고
    • The third peak in the CA mass spectrum (Figure 10) may be an artifact, because the CA mass spectrum was recorded with ions mass selected by 7?(1) only. See also fieure caption and réf. [43].
    • The third peak in the CA mass spectrum (Figure 10) may be an artifact, because the CA mass spectrum was recorded with ions mass selected by 7?(1) only. See also fieure caption and réf. [43].
  • 86
    • 33745407672 scopus 로고    scopus 로고
    • A Opel, unpublished results 1991.
    • [33a] A Opel, unpublished results 1991.
  • 87
    • 84981752803 scopus 로고
    • 1782.
    • [33b] See also the "dimerization" of LiCHCl to give 1,2-dichloroethene: G. Köbrich, H. R. Merkte, Chem. 'Ber. 1966, 99, 1782.
    • (1966) Chem. 'Ber. , vol.99
    • Köbrich, G.1    Merkte, H.R.2
  • 88
    • 84866204002 scopus 로고
    • Ph. D. Thesis, Universität Marburg
    • [33c] Analogous reactions have been observed for a-lithiated ethers. See: A. Opel, Ph. D. Thesis, Universität Marburg, 1993.
    • (1993)
    • Opel, A.1
  • 90
    • 33745355755 scopus 로고    scopus 로고
    • The decomposition reactions of hydrotrioxides have been studied earlier by experimental as well as theoretical means
    • The decomposition reactions of hydrotrioxides have been studied earlier by experimental as well as theoretical means:
  • 95
    • 84866211789 scopus 로고    scopus 로고
    • [35 G. Boche, K. Möbius, N. Schmiedebug, C. Bender, H. D. Brauer, unpublished results.
    • [35) G. Boche, K. Möbius, N. Schmiedebug, C. Bender, H. D. Brauer, unpublished results.
  • 96
    • 33745338571 scopus 로고    scopus 로고
    • It should be noted that the losses of oxygen atoms as well as molecular oxygen may be hampered additionally by barriers. These have, however, not been studied theoretically here.
    • It should be noted that the losses of oxygen atoms as well as molecular oxygen may be hampered additionally by barriers. These have, however, not been studied theoretically here.
  • 107
    • 4043170195 scopus 로고
    • 2291.
    • [42c) For a review on gas-phase stabilities of small anions, see: J. Kalcher, A. F. Sax, Chem. Rev. 1994, 94, 2291.
    • (1994) Chem. Rev. , vol.94
    • Kalcher, J.1    Sax, A.F.2


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