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0001107787
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Theoretical study of X-H bond energetics (X = C, N, O, S): Application to substituent effects, gas-phase acidities, and redox potentials
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2442657222
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note
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2 family.
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13
-
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2442674706
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note
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Attempts to derive thermodynamic data from rates of H-atom abstraction from substituted toluenes are confounded by the convolution of kinetic polar effects, see footnote 7 in ref 13.
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14
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0034837520
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Oxygen-carbon bond dissociation enthalpies of benzyl phenyl ethers and anisoles. An example of temperature-dependent substituent effects
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2442688539
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note
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CW used a different electronegativity scale. However, the original Pauling scale has recently received very strong support.16
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17
-
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0037453558
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Pauling's electrone-gativity equation and a new corollary accurately predict bond dissociation enthalpies and enhance current understanding of the nature of the chemical bond
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2442643381
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note
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2442638339
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33
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0037144710
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Remote substituent effects on bond dissociation energies of parasubstituted aromatic silanes
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The importance of polar effects on MSEs (usually termed (polar) ground-state effects,26,27.33,34 although there is no corresponding "excited" state) has been emphasized for many years; see, for examples, Rüchardt, C. Relations between structure and reactivity in free-radical chemistry. Angew. Chem., Int. Ed. Engl. 1970, 9, 830-843. Nicholas, A. M. de P.; Arnold, D. R. Thermochemical parameters for organic radicals and radical ions. Part 3. The relationship between bond dissociation enthalpy and radical stability in alkyl systems. Can. J. Chem. 1984, 62, 1850-1859. In principle, MSEs can be determined from the heats of formation of the compounds but, for disubstituted benzenes, there are few values available and these are of very variable reliability.
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2442654697
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2442642163
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note
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.) electron delocalization.40
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44
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