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- W2952437589 abstract "The two isomers of [Co(trap)2]3+ (meso-[Co(trap)2]3+ and rac-[Co(trap)2]3+; trap = 1,2,3-propanetriamine) have been studied by strain-energy minimization. The two isomers have been separated preparatively by fractional crystallization, and fully characterized by 13C-NMR and electronic spectroscopy, and microanalyses. The calculated isomer distribution (rac/meso = 60%: 40%) is in good agreement with HPLC analysis of thermodynamic equilibrium mixtures at 298 K and 353 K (rac/meso = 55% : 45%). These results are discussed in relation to the approach of calculating isomer distributions of hexaaminecobalt(III) systems by strain-energy minimization neglecting the differences in environmental effects." @default.
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- W2952437589 date "1989-03-14" @default.
- W2952437589 modified "2023-09-25" @default.
- W2952437589 title "ChemInform Abstract: Energy-Minimized Structures and Calculated and Experimental Isomer Distributions in the Hexaaminecobalt(III) System (Co(trap)2)3+ (trap: 1,2,3-Propanetriamine)." @default.
- W2952437589 cites W2110744925 @default.
- W2952437589 doi "https://doi.org/10.1002/chin.198911269" @default.
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