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0344710436
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c) H. Jiao, P. von R. Schleyer, Angew. Chem. 1993, 105, 1833; Angew. Chem. Int. Ed. Engl. 1993, 32, 1763;
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Angew. Chem.
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Jiao, H.1
Schleyer, P.V.R.2
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33748222020
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c) H. Jiao, P. von R. Schleyer, Angew. Chem. 1993, 105, 1833; Angew. Chem. Int. Ed. Engl. 1993, 32, 1763;
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Angew. Chem. Int. Ed. Engl.
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8
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0344710434
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J. C. Barborak, T. M. Su, P. von R. Schleyer, G. Boche, O. Schneider, J. Am. Chem. Soc. 1971, 93, 279.
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J. Am. Chem. Soc.
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Barborak, J.C.1
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Schleyer, P.V.R.3
Boche, G.4
Schneider, O.5
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10
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0345140882
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The Cyclononaletraenyl Cation
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Wiley, New York
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b) "The Cyclononaletraenyl Cation": A. G. Anastassiou, Topics in Nonbenzoid Aromatic Chemistry, Vol. 1, Wiley, New York, 1973, p. 18;
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Topics in Nonbenzoid Aromatic Chemistry, Vol. 1
, vol.1
, pp. 18
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Anastassiou, A.G.1
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11
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0344278456
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Dissertation, Syracuse University, NY
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c) E. Yakali, Dissertation, Syracuse University, NY, 1973.
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(1973)
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Yakali, E.1
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13
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0344710433
-
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private communication (see also reference [5c])
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9 in 1969, and this anticipation might have been also the incentive to carry out the early investigations outlined here: A. G. Anastassiou, E. Yakali, private communication (see also reference [5c]).
-
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Anastassiou, A.G.1
Yakali, E.2
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14
-
-
0345140881
-
-
note
-
a) Geometries were optimized at the B3LYP/6-311 + G** level. Frequencies and ZPE corrections are computed at the B3LYP/6-31G* level with Gaussian 94. The NICS and magnetic susceptibilities were calculated with GIAO and CSGT methods, respectively (as implemented in G94);
-
-
-
-
15
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
b) GAUSSIAN 94, Revision C.3: M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, J. A. Pople, Gaussian, Inc., Pittsburgh, PA, 1995.
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(1995)
GAUSSIAN 94, Revision C.3
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-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
16
-
-
0344710432
-
-
note
-
-1 higher in energy than 4 (UB3LYP/6-31G*): V. Gogonea, unpublished results.
-
-
-
-
17
-
-
0001621298
-
-
a) For the application of geometric aromaticity criteria, see P. von R. Schleyer, P. Freeman, H. Jiao, B. Goldfuss, Angew. Chem. 1995, 107, 332; Angew. Chem. Int. Ed. Engl. 1995, 34, 337; b) V. I. Minkin, M. N. Glukhovtsev, B. Y. Simkin, Aromaticity and Antiaromaticity, Wiley, New York, 1994.
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Angew. Chem.
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Schleyer, P.V.R.1
Freeman, P.2
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Goldfuss, B.4
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18
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-
33748247829
-
-
a) For the application of geometric aromaticity criteria, see P. von R. Schleyer, P. Freeman, H. Jiao, B. Goldfuss, Angew. Chem. 1995, 107, 332; Angew. Chem. Int. Ed. Engl. 1995, 34, 337; b) V. I. Minkin, M. N. Glukhovtsev, B. Y. Simkin, Aromaticity and Antiaromaticity, Wiley, New York, 1994.
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Angew. Chem. Int. Ed. Engl.
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19
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0004024319
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Wiley, New York
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a) For the application of geometric aromaticity criteria, see P. von R. Schleyer, P. Freeman, H. Jiao, B. Goldfuss, Angew. Chem. 1995, 107, 332; Angew. Chem. Int. Ed. Engl. 1995, 34, 337; b) V. I. Minkin, M. N. Glukhovtsev, B. Y. Simkin, Aromaticity and Antiaromaticity, Wiley, New York, 1994.
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(1994)
Aromaticity and Antiaromaticity
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Minkin, V.I.1
Glukhovtsev, M.N.2
Simkin, B.Y.3
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20
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0011190497
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a) P. von R. Schleyer, C. Maerker, A. Dransfeld, H. Jiao, N. J. v. E. Hommes, J. Am. Chem. Soc. 1996, 118, 6317;
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J. Am. Chem. Soc.
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Schleyer, P.V.R.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.4
Hommes, N.J.V.E.5
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21
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0000662399
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b) P. von R. Schleyer, H. Jiao, N. J. R. van E. Hommes, V. G. Malkin, O. Malkin, J. Am. Chem. Soc. 1997, 119, 12 669.
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Schleyer, P.V.R.1
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Malkin, O.5
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22
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0344278453
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(Ed.: J. P. Snyder), Academic Press, New York
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a) For the use of diamagnetic susceptibility exaltations as aromaticity criteria, see H. J. Dauben, J. D. Wilson, J. L. Laity in Nonbenzoid Aromaticity, Vol. II (Ed.: J. P. Snyder), Academic Press, New York, 1971, pp. 166-206; b) P. von R. Schleyer, H. Jiao, Pure Appl. Chem. 1996, 68, 209; c) see also reference [10a].
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Nonbenzoid Aromaticity, Vol. II
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Dauben, H.J.1
Wilson, J.D.2
Laity, J.L.3
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23
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0000379599
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a) For the use of diamagnetic susceptibility exaltations as aromaticity criteria, see H. J. Dauben, J. D. Wilson, J. L. Laity in Nonbenzoid Aromaticity, Vol. II (Ed.: J. P. Snyder), Academic Press, New York, 1971, pp. 166-206; b) P. von R. Schleyer, H. Jiao, Pure Appl. Chem. 1996, 68, 209; c) see also reference [10a].
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Pure Appl. Chem.
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Schleyer, P.V.R.1
Jiao, H.2
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24
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0345572430
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see also reference [10a]
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a) For the use of diamagnetic susceptibility exaltations as aromaticity criteria, see H. J. Dauben, J. D. Wilson, J. L. Laity in Nonbenzoid Aromaticity, Vol. II (Ed.: J. P. Snyder), Academic Press, New York, 1971, pp. 166-206; b) P. von R. Schleyer, H. Jiao, Pure Appl. Chem. 1996, 68, 209; c) see also reference [10a].
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25
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84990669584
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a) M. S. J. Dewar, Angew. Chem. 1971, 83, 859; Angew. Chem. Int. Ed. Engl. 1971, 10, 761;
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Dewar, M.S.J.1
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a) M. S. J. Dewar, Angew. Chem. 1971, 83, 859; Angew. Chem. Int. Ed. Engl. 1971, 10, 761;
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D. Cremer, P. Svensson, E. Kraka, Z. Konkoli, P. Ahlberg, J. Am. Chem. Soc. 1993, 115, 7457.
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Ahlberg, P.5
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30
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0000229814
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Magnetic susceptibilities depend on the area of the delocalized system. This complicates comparisons among molecules with different sizes and shapese: B. Maoche, J. Gayoso, O. Ouamerali, Rev. Roum. Chem. 1984, 26, 613.
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Rev. Roum. Chem.
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0005911691
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a) F. L. Cozens, R. A. McClelland, S. Steenken, J. Am. Chem. Soc. 1993, 115, 5050;
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McClelland, R.A.1
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