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  • Ab initio calculations  (1)
  • Alkalinity, total; Carbon, total; Carbon dioxide, partial pressure; CT; DATE/TIME; DEPTH, water; Discretely sampled from water stream of Underway-Equilibrator-System; LATITUDE; LONGITUDE; OC16/11; OC16/11-track; Oceania; Oxygen; Oxygen saturation; pH; Salinity; Temperature, water; Underway cruise track measurements; Underway-Equilibrator-System  (1)
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  • 1
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 2000 (2000), S. 153-157 
    ISSN: 1434-1948
    Keywords: Aluminum ; Ab initio calculations ; Isomers ; Intramolecular donor-acceptor systems ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Three aluminum compounds Ar*AlBr2 (1), Ar*AlBrtBu (2), and Ar*2AlBr (3), incorporating the chiral ligand Ar* = 2-[1-(S)-Me2NCH(Me)]C6H4, have been synthesized by salt metathesis reactions and have been characterized by multinuclear NMR (1H, 13C, and 27Al), mass spectrometry, and elemental analysis. The molecular structure of compound 3 has been determined by a single-crystal X-ray analysis (space group P212121). Alane 2 exists as a temperature-independent equilibrium mixture of two diastereomers in solution (ratio 45:55); results of NOE experiments on 2 are discussed. Only one isomer was found for compound 3 in solution and its dynamic behavior has been investigated by variable-temperature NMR methods; a ΔH of 56.6(4) kJ mol-1 and a ΔS of -0.79(1) J K-1mol-1 were deduced from band-shape analysis of the 1H-NMR signals of the N-bound methyl groups.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Publication Date: 2024-06-26
    Keywords: Alkalinity, total; Carbon, total; Carbon dioxide, partial pressure; CT; DATE/TIME; DEPTH, water; Discretely sampled from water stream of Underway-Equilibrator-System; LATITUDE; LONGITUDE; OC16/11; OC16/11-track; Oceania; Oxygen; Oxygen saturation; pH; Salinity; Temperature, water; Underway cruise track measurements; Underway-Equilibrator-System
    Type: Dataset
    Format: text/tab-separated-values, 286 data points
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