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- W2085186095 abstract "The variable-temperature 1H NMR spectra of paramagnetic (2-Me-allyl)3Cr in [D8]toluene were recorded in the temperature range from 243 to 323 K. The changes observed in the spectra are interpreted in terms of intramolecular dynamic behaviour. Line-shape analyses gave an entropy of activation ΔH‡ of 40(5) kJ/mol, and an entropy of activation ΔS‡ of −31(4) J/mol·K for the observed transformation. This corresponds to a free energy of activation ΔG‡ of 49(6) kJ/mol at 300 K. Different possible mechanisms were investigated by DFT. The presence of two different conformers, which were converted into each other by rotation of one allyl ligand around the allyl−chromium axis, may explain the observations." @default.
- W2085186095 created "2016-06-24" @default.
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- W2085186095 date "2002-02-01" @default.
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- W2085186095 title "Dynamic Behaviour of Tris(2-methylallyl)chromium − NMR and DFT Results" @default.
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- W2085186095 doi "https://doi.org/10.1002/1099-0682(20022)2002:2<411::aid-ejic411>3.0.co;2-s" @default.
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