-
7
-
-
0034837520
-
-
(a) Bordwell F.G., Zhang X.-M., Satish A.V., Cheng J.-P. J. Am. Chem. Soc. 116:1994;6605-6610 (b) Jonsson M., Lind H., Merenyi G., Eriksen T.E. J. Chem. Soc. PT2. 1994;2149-2154 (c) Bordwell F.G., Harrelson H.A., Zhang X. J. Org. Chem. 56:1991;4448-4450 (d) Bordwell F.G., Cheng J.-P. J. Am. Chem. Soc. 113:1991;1736-1743 (e) Pratt D.A., deHeer M.I., Mulder P., Ingold K.U. J. Am. Chem. Soc. 123:2001;5518-5526.
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 5518-5526
-
-
Pratt, D.A.1
DeHeer, M.I.2
Mulder, P.3
Ingold, K.U.4
-
12
-
-
0000134807
-
-
Wu Y.-D., Wong C.-L., Chan K.W.K., Ju G.-Z., Jiang X.-K. J. Org. Chem. 61:1996;746-750.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 746-750
-
-
Wu, Y.-D.1
Wong, C.-L.2
Chan, K.W.K.3
Ju, G.-Z.4
Jiang, X.-K.5
-
16
-
-
0011413551
-
-
note
-
2.
-
-
-
-
18
-
-
33751499838
-
-
(a) Dewar M.J.S., Zoebisch E.G., Healy E.F., Stewart J.J.P. J. Am. Chem. Soc. 107:1985;3092-3099 (b) Wayner D.D.M., Sim B.A., Dannenberg J.J. J. Org. Chem. 56:1991;4853-4858.
-
(1991)
J. Org. Chem.
, vol.56
, pp. 4853-4858
-
-
Wayner, D.D.M.1
Sim, B.A.2
Dannenberg, J.J.3
-
19
-
-
0032542109
-
-
Bean G.P. Tetrahedron. 54:1998;15445-15456.
-
(1998)
Tetrahedron
, vol.54
, pp. 15445-15456
-
-
Bean, G.P.1
-
20
-
-
0011457702
-
-
note
-
+ values had a correlation of 0.96, 0.96, and 0.97, respectively, with an average deviation of 0.48±0.31, 1.06±0.49, and 0.59±0.32 kcal/mol, respectively. Although the AM1 BDEs at the UHF level are lower than the experimental or DFT values, the relative effect of the substituents is as good as either the experimental or DFT data.
-
-
-
-
21
-
-
0011413352
-
-
note
-
4CHF radical), the conformer of the lower energy was used.
-
-
-
-
22
-
-
0011455426
-
-
note
-
4ZH systems.
-
-
-
-
23
-
-
0011516755
-
-
note
-
fs.
-
-
-
-
24
-
-
0011426947
-
-
note
-
f of the hydrogen atom to the energy gaps gives the Adj BDE and BDE.
-
-
-
-
28
-
-
0001005689
-
-
(a) Pearson R.G. J. Am. Chem. Soc. 85:1963;3533-3538 (b) Pearson R.G. J. Am. Chem. Soc. 108:1986;6109-6114 (c) Pearson R.G. Acc. Chem. Res. 26:1993;250-255 (d) Parr R.G., Zhou Z. Acc. Chem. Res. 26:1993;256-258.
-
(1993)
Acc. Chem. Res.
, vol.26
, pp. 256-258
-
-
Parr, R.G.1
Zhou, Z.2
-
29
-
-
0011457706
-
-
note
-
7,8.
-
-
-
-
30
-
-
0011456987
-
-
note
-
9 'the preferred conformations of the benzyl halides have the C-F bond lying in the aromatic plane, whereas the C-Cl and C-Br bonds are perpendicular to this plane'.
-
-
-
-
31
-
-
0011456988
-
-
note
-
2>0.75) for the p-EWGs.
-
-
-
-
32
-
-
0001132340
-
-
see also pp 1930-1937
-
Walter D.D.M. J. Am. Chem. Soc. 88:1966;1923-1930. see also pp 1930-1937.
-
(1966)
J. Am. Chem. Soc.
, vol.88
, pp. 1923-1930
-
-
Walter, D.D.M.1
-
33
-
-
0034684252
-
-
Cheng J.-P., Liu B., Zhao Y., Wen Z., Sun Y. J. Am. Chem. Soc. 122:2000;9987-9992.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 9987-9992
-
-
Cheng, J.-P.1
Liu, B.2
Zhao, Y.3
Wen, Z.4
Sun, Y.5
-
34
-
-
0035936729
-
-
We have found that using AM1 values for ΔBDEs gave results similar to those of Cheng, et al.
-
2CN series, it was found that EWGs strengthen the BDEs Wen Z., Li Z., Shang Z., Cheng J.-P. J. Org. Chem. 66:2001;1466-1472. We have found that using AM1 values for ΔBDEs gave results similar to those of Cheng, et al.
-
(2001)
J. Org. Chem.
, vol.66
, pp. 1466-1472
-
-
Wen, Z.1
Li, Z.2
Shang, Z.3
Cheng, J.-P.4
-
35
-
-
0011511330
-
-
note
-
· versus the charge are 'V shaped'.
-
-
-
|