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- W2044223888 abstract "For complete fragmentations of the type AmBn...→ mA + nB + ... the change of the dipole polarizabilty Δα ≡ ∑iνiαi and its cube-root ΔαCR ≡ ∑iνiαi1/3 as well as the atomization energy Dat are calculated from literature data (νi is the stoichiometric coefficient). We have taken into account a large number of molecules containing the atoms H, C, N, O, S, P, F, Cl, Br, and I as well as the metals Fe and Os. The ranges of Dat and ∑iνiαi covered by the fragmentations are between 150 and 15 000 kJ mol-1 and −6 and 170 × 10-41 C2 m2 J-1, respectively. In most cases Δα > 0 is observed, whereas we always find ΔαCR > 0. Additionally, we observe a linear relationship Dat = Aμ + Bμ∑iνiαiμ between the atomization energy Dat and the sum of the dipole-polarizabilities of all chemical species taking part in the fragmentation. The linear relation is obtained for μ = 1 and 1/3. Our observation implies that the most stable isomer has the lowest polarizability and that in chemical reactions the most stable species (reactants or products) have the lowest sum of α1/3." @default.
- W2044223888 created "2016-06-24" @default.
- W2044223888 creator A5010912365 @default.
- W2044223888 date "2000-08-15" @default.
- W2044223888 modified "2023-10-02" @default.
- W2044223888 title "Is There a Minimum Polarizability Principle in Chemical Reactions?" @default.
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- W2044223888 doi "https://doi.org/10.1021/jp0014061" @default.
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