-
1
-
-
1842321391
-
-
note
-
-1 when ΔG○ = 0.
-
-
-
-
7
-
-
1842270478
-
-
note
-
1 is the change in equilibrium constant caused by the resonance induced stabilization of the carbanion. Both forms of the equation are of course equivalent.
-
-
-
-
8
-
-
1842275389
-
-
note
-
8
-
-
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-
9
-
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0003558028
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1842355245
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Personal communication
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Saunders Jr., W.H.1
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1842286093
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note
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See paragraph concerning Supporting Information at the end of this paper.
-
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26
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1842313775
-
-
note
-
Except for the HF/6-311+G**//HF/6-311+G** level where the difference is 9.6 kcal/mol.
-
-
-
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27
-
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0001998551
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Gas-Phase Ion and Neutral Thermochemistry
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(a) Lias, S. G.; Bartmess, J. E.; Liebman, J. E.; Levin, R. D.; Holmes, J. L.; Mallard, W. G. Gas-Phase Ion and Neutral Thermochemistry: J. Phys. Chem. Ref. Data 1988, 17, Suppl. 1.
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(a) 179.2 kcal/mol reported by Lias, S.; Liebman, J. F.; Levin, R. D. J. Phys. Chem. Ref. Data 1984, 13, 695.
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1842273390
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note
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2.
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32
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1842308016
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note
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Y) < 1.
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33
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1842278283
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note
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CH3N+O2H|.
-
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37
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1842309966
-
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note
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3Y (see ref 25).
-
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38
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1842274406
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note
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1842393916
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note
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3 hybridization is not a prerequisite for the carbon to be able to carry a partial negative charge. More on this in ref 10b.
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54
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1842381227
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note
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38
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55
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1842275388
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note
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41 formed between the reactants and the term "barrier" is sometimes used for the enthalpy difference between the transition state and this ion-dipole complex. These ion-dipole complexes have little relevance to the main focus of this paper (see, e.g., ref 9b), and we have not included them in our calculations.
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1842273387
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1842400687
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At MP2/6-311+G**//MP2/6-311+G**.
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64
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1842324280
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note
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46
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66
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1842342516
-
-
note
-
9b are indeed close to the slope (0.34).
-
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68
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1842278282
-
-
note
-
9b (see footnote in Table 9) were used.
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69
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1842280268
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note
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10a
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70
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1842357195
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note
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10a
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71
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1842263641
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note
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3,4a this effect is again not the result of some special characteristics of the substituent but a consequence of the imbalance.
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For a more detailed description of various features of such six-corner diagrams, see ref 10a.
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