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2
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a) B. Marcandalli, I. R. Bellobono, E. Selli, A. Polissi, Dyes and Pigments 1987, 19, 239;
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Marcandalli, B.1
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4
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c) D.-M. Shin, K. S. Schanze, D. G. Whitten, J. Am. Chem. Soc. 1989, 111, 8494;
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Shin, D.-M.1
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d) N. Nishimura, T. Tanaka, M. Asano, Y. Sueishi, J. Chem. Soc. Perkin Trans. 2 1986, 1839;
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Nishimura, N.1
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6
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0001244775
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e) S. Kobayashi, H. Yokoyama, H. Kamei, Chem. Phys. Lett. 1987, 138, 333;
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g) B. Marcandalli, E. Dubina-Paglia, L. Pelliciari-Di Liddo, Gazz, Chim. Ital. 1981, 111, 187;
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Marcandalli, B.1
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33751158711
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11
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0346540784
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G. McGeorge, R. K. Harris, A. M. Chippendale, J. F. Bullock, J. Chem. Soc. Perkin Trans. 2 1996, 1733.
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McGeorge, G.1
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13
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84983085435
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M. J. Kamlet, J.-L. M. Abboud, R. W. Taft, Prog. Phys. Org. Chem. 1981, 13, 485.
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Kamlet, M.J.1
Abboud, J.-L.M.2
Taft, R.W.3
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14
-
-
0000974667
-
-
R. W. Taft, J.-L. M. Abboud, M. J. Kamlet, J. Am. Chem. Soc. 1981, 103, 1080; R. W. Taft, M. J. Kamlet, Inorg. Chem. 1983, 22, 250.
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Taft, R.W.1
Abboud, J.-L.M.2
Kamlet, M.J.3
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15
-
-
0343118236
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-
R. W. Taft, J.-L. M. Abboud, M. J. Kamlet, J. Am. Chem. Soc. 1981, 103, 1080; R. W. Taft, M. J. Kamlet, Inorg. Chem. 1983, 22, 250.
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-
Taft, R.W.1
Kamlet, M.J.2
-
17
-
-
0343118234
-
-
note
-
We are aware of a more recent compilation of π* values (ref. [3]). However, we have chosen not to rely on these since no comparable values are given for hydroxylic solvents, and nor is it clear that older α and β values are consistent with these newer π* values. See, however, ref. [11].
-
-
-
-
19
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-
0343990190
-
-
note
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A=T values.
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-
-
-
20
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0342683935
-
-
Im Budler 6, CH-4419 Lupsingen, Switzerland
-
PISYSTEM for Windows, v 3.1 (1994), R. Naef, Im Budler 6, CH-4419 Lupsingen, Switzerland . This program has been reviewed in: M. G. Hutchings, Dyes & Pigments 1995, 29, 95.
-
(1994)
PISYSTEM for Windows, V 3.1
-
-
Naef, R.1
-
21
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0007763697
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PISYSTEM for Windows, v 3.1 (1994), R. Naef, Im Budler 6, CH-4419 Lupsingen, Switzerland . This program has been reviewed in: M. G. Hutchings, Dyes & Pigments 1995, 29, 95.
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(1995)
Dyes & Pigments
, vol.29
, pp. 95
-
-
Hutchings, M.G.1
-
22
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0344509712
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-
E. G. McRae, J. Phys. Chem. 1957, 61, 562; W. Liptay, Angew. Chem. Int. Ed. Engl. 1969, 8, 177; W. Liptay in Modern Quantum Chemistry, Part 2 (Ed.: O. Sinanoglu), Academic Press, New York, 1965, p. 173.
-
(1957)
J. Phys. Chem.
, vol.61
, pp. 562
-
-
McRae, E.G.1
-
23
-
-
84981796364
-
-
E. G. McRae, J. Phys. Chem. 1957, 61, 562; W. Liptay, Angew. Chem. Int. Ed. Engl. 1969, 8, 177; W. Liptay in Modern Quantum Chemistry, Part 2 (Ed.: O. Sinanoglu), Academic Press, New York, 1965, p. 173.
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(1969)
Angew. Chem. Int. Ed. Engl.
, vol.8
, pp. 177
-
-
Liptay, W.1
-
24
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-
0344509712
-
-
(Ed.: O. Sinanoglu), Academic Press, New York
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E. G. McRae, J. Phys. Chem. 1957, 61, 562; W. Liptay, Angew. Chem. Int. Ed. Engl. 1969, 8, 177; W. Liptay in Modern Quantum Chemistry, Part 2 (Ed.: O. Sinanoglu), Academic Press, New York, 1965, p. 173.
-
(1965)
Modern Quantum Chemistry, Part 2
, pp. 173
-
-
Liptay, W.1
-
25
-
-
33748225392
-
-
F. Effenberger, F. Würthner, Angew. Chem. Int. Ed. Engl. 1993, 32, 719; F. Effenberger, F. Würthner, F. Steybe, J. Org. Chem. 1995, 60, 2082.
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-
-
Effenberger, F.1
Würthner, F.2
-
26
-
-
0000472734
-
-
F. Effenberger, F. Würthner, Angew. Chem. Int. Ed. Engl. 1993, 32, 719; F. Effenberger, F. Würthner, F. Steybe, J. Org. Chem. 1995, 60, 2082.
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Effenberger, F.1
Würthner, F.2
Steybe, F.3
-
27
-
-
0343990185
-
-
note
-
01 term is a vector dot product and therefore dependent on the angle between the dipole vectors. In fact, the PPP-calculated ground-state and first excited-state dipole vectors are essentially in the same direction, so the scalar assumption is valid, at least to the same extent as the other approximations which have been made.
-
-
-
-
28
-
-
33744657168
-
-
W. E. Stewart, T. H. Siddall III, Chem. Rev. 1970, 70, 517; V. P. Manea, K. J. Wilson, J. R. Cable, J. Am. Chem. Soc. 1997, 119, 2033.
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(1970)
Chem. Rev.
, vol.70
, pp. 517
-
-
Stewart, W.E.1
Siddall III, T.H.2
-
29
-
-
0030990596
-
-
W. E. Stewart, T. H. Siddall III, Chem. Rev. 1970, 70, 517; V. P. Manea, K. J. Wilson, J. R. Cable, J. Am. Chem. Soc. 1997, 119, 2033.
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J. Am. Chem. Soc.
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-
-
Manea, V.P.1
Wilson, K.J.2
Cable, J.R.3
-
31
-
-
0041936278
-
-
F. H. Allen, J. E. Davies, O. J. Johnson, O. Kennard, C. F. Macrae, E. M. Mitchell, G. F. Mitchell, J. M. Smith, D. Watson, J. Chem. Inf. Comput. Sci. 1991, 31, 187.
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Allen, F.H.1
Davies, J.E.2
Johnson, O.J.3
Kennard, O.4
Macrae, C.F.5
Mitchell, E.M.6
Mitchell, G.F.7
Smith, J.M.8
Watson, D.9
-
32
-
-
0343118232
-
-
note
-
2) = 0.21±0.14; cf. literature values 0.44, 0.30, respectively (ref. [8]). Thus these new α values are not recommended.
-
-
-
-
33
-
-
0000236562
-
-
E. Buncel, S. Rajagopal, J. Org. Chem. 1989, 54, 798; E. Buncel, S. Rajagopal, Acc. Chem. Res. 1990, 23, 226.
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Buncel, E.1
Rajagopal, S.2
-
34
-
-
7844249583
-
-
E. Buncel, S. Rajagopal, J. Org. Chem. 1989, 54, 798; E. Buncel, S. Rajagopal, Acc. Chem. Res. 1990, 23, 226.
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(1990)
Acc. Chem. Res.
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-
-
Buncel, E.1
Rajagopal, S.2
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37
-
-
37049082382
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c) R. S. Drago, M. S. Hirsch, D. C. Ferris, C. W. Chronister, J. Chem. Soc. Perkin Trans. 2 1994, 219;
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Drago, R.S.1
Hirsch, M.S.2
Ferris, D.C.3
Chronister, C.W.4
-
39
-
-
0343990184
-
-
unpublished results
-
M. G. Hutchings, unpublished results.
-
-
-
Hutchings, M.G.1
-
40
-
-
0343118231
-
-
note
-
Statistica/w, from StatSoft, Inc., 2325 East 13th Street, Tulsa, OK 74104 (USA).
-
-
-
-
41
-
-
0000265957
-
-
J. Pancir, I. Matoušek, R. Zahradnik, Coll. Czech. Chem. Commun. 1973, 38, 3039.
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(1973)
Coll. Czech. Chem. Commun.
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Pancir, J.1
Matoušek, I.2
Zahradnik, R.3
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