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Diastereoisomeric proton-bound complexes of 1,5-diaza-cis-decalin in the gas phase

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    0333357 - ÚOCHB 2010 RIV CZ eng J - Journal Article
    Roithová, Jana
    Diastereoisomeric proton-bound complexes of 1,5-diaza-cis-decalin in the gas phase.
    Collection of Czechoslovak Chemical Communications. Roč. 74, č. 2 (2009), s. 243-254. ISSN 0010-0765
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : basicity * proton affinity * chiral reactions * diazadecalin
    Subject RIV: CC - Organic Chemistry
    Impact factor: 0.856, year: 2009

    Diastereoisomeric proton-bound complexes of 1,5-diaza-cis-decalin with butan-2-amine are studied by means of the DFT calculations and mass spectrometry. The homochiral complex is favored by about 4 kJ/mol over the heterochiral complex. For a more loosely bound ion-pair complex of the protonated bases 1 and 2 with an iodine counterion the energy difference drops to about 2 kJ/mol.
    Permanent Link: http://hdl.handle.net/11104/0178361

     
     
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