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Volumn 62, Issue 1, 1997, Pages 38-43

Ferromagnetic Interaction between Aminium Radical Centers through m-Phenylene and m-1,3,5-Triazinediyl

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EID: 0003138174     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9610319     Document Type: Article
Times cited : (20)

References (64)
  • 1
    • 27844450778 scopus 로고
    • Itoh, K. Chem. Phys. Lett. 1967, 1, 235-238. Wasserman, E. Murray, R. W.; Yager,W. A.; Trozzolo, A. M.; Smolinsky, G. J. Am. Chem. Soc. 1967, 89, 5076-5078.
    • (1967) Chem. Phys. Lett. , vol.1 , pp. 235-238
    • Itoh, K.1
  • 4
    • 4243542678 scopus 로고
    • and references therein
    • Rajca, A. Chem. Rev. 1994, 94, 871-893 and references therein.
    • (1994) Chem. Rev. , vol.94 , pp. 871-893
    • Rajca, A.1
  • 5
    • 0009928506 scopus 로고
    • Borden, W. T.; Davidson, E. R. J. Am. Chem. Soc. 1977, 99, 4587-4594. Borden, W. T. In Diradicals: Borden, W. T., Ed. Wiley: New York, 1982; pp 1-72.
    • (1977) J. Am. Chem. Soc. , vol.99 , pp. 4587-4594
    • Borden, W.T.1    Davidson, E.R.2
  • 6
    • 0009928506 scopus 로고
    • Borden, W. T., Ed. Wiley: New York
    • Borden, W. T.; Davidson, E. R. J. Am. Chem. Soc. 1977, 99, 4587-4594. Borden, W. T. In Diradicals: Borden, W. T., Ed. Wiley: New York, 1982; pp 1-72.
    • (1982) Diradicals , pp. 1-72
    • Borden, W.T.1
  • 8
    • 84981785324 scopus 로고
    • Gleiter, R.; Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1969, 8, 214-215. Du, P.; Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1989, 111, 3773-3778. Greenberg, M. M.; Blackstock, S. C.; Berson, J. A.; Merrill, R. A.; Ducharnp, J. C.; Zilm, K. W. J. Am. Chem. Soc. 1991, 113, 2318-2319. Hirano, T.; Kumagai, T.; Miyashi, T. J. Org. Chem. 1992, 57, 876-882.
    • (1969) Angew. Chem., Int. Ed. Engl. , vol.8 , pp. 214-215
    • Gleiter, R.1    Hoffmann, R.2
  • 9
    • 0001188658 scopus 로고
    • Gleiter, R.; Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1969, 8, 214-215. Du, P.; Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1989, 111, 3773-3778. Greenberg, M. M.; Blackstock, S. C.; Berson, J. A.; Merrill, R. A.; Ducharnp, J. C.; Zilm, K. W. J. Am. Chem. Soc. 1991, 113, 2318-2319. Hirano, T.; Kumagai, T.; Miyashi, T. J. Org. Chem. 1992, 57, 876-882.
    • (1989) J. Am. Chem. Soc. , vol.111 , pp. 3773-3778
    • Du, P.1    Hrovat, D.A.2    Borden, W.T.3
  • 10
    • 0042451063 scopus 로고
    • Gleiter, R.; Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1969, 8, 214-215. Du, P.; Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1989, 111, 3773-3778. Greenberg, M. M.; Blackstock, S. C.; Berson, J. A.; Merrill, R. A.; Ducharnp, J. C.; Zilm, K. W. J. Am. Chem. Soc. 1991, 113, 2318-2319. Hirano, T.; Kumagai, T.; Miyashi, T. J. Org. Chem. 1992, 57, 876-882.
    • (1991) J. Am. Chem. Soc. , vol.113 , pp. 2318-2319
    • Greenberg, M.M.1    Blackstock, S.C.2    Berson, J.A.3    Merrill, R.A.4    Ducharnp, J.C.5    Zilm, K.W.6
  • 11
    • 0000942037 scopus 로고
    • Gleiter, R.; Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1969, 8, 214-215. Du, P.; Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1989, 111, 3773-3778. Greenberg, M. M.; Blackstock, S. C.; Berson, J. A.; Merrill, R. A.; Ducharnp, J. C.; Zilm, K. W. J. Am. Chem. Soc. 1991, 113, 2318-2319. Hirano, T.; Kumagai, T.; Miyashi, T. J. Org. Chem. 1992, 57, 876-882.
    • (1992) J. Org. Chem. , vol.57 , pp. 876-882
    • Hirano, T.1    Kumagai, T.2    Miyashi, T.3
  • 13
    • 1542548873 scopus 로고    scopus 로고
    • This situation is not a violation of the high-spin topology rules; appropriate rules may be reconstructed for heteroatom-containing systems
    • This situation is not a violation of the high-spin topology rules; appropriate rules may be reconstructed for heteroatom-containing systems.
  • 14
    • 0001473231 scopus 로고
    • Tyutyulkov, N.; Polansky, O. E. Chem. Phys. Lett, 1989, 139, 281-283. Baumgarten, M.; Müllen, K.; Tyutyulkov, N.; Madjarova, G. Chem. Phys. 1993, 169, 81-84. Madjarova, G.; Baumgarten, M.; Müllen, K.; Tyutyulkov, N. Macromol. Theory Simul. 1994, 3, 803-815.
    • (1989) Chem. Phys. Lett , vol.139 , pp. 281-283
    • Tyutyulkov, N.1    Polansky, O.E.2
  • 15
    • 0039101469 scopus 로고
    • Tyutyulkov, N.; Polansky, O. E. Chem. Phys. Lett, 1989, 139, 281-283. Baumgarten, M.; Müllen, K.; Tyutyulkov, N.; Madjarova, G. Chem. Phys. 1993, 169, 81-84. Madjarova, G.; Baumgarten, M.; Müllen, K.; Tyutyulkov, N. Macromol. Theory Simul. 1994, 3, 803-815.
    • (1993) Chem. Phys. , vol.169 , pp. 81-84
    • Baumgarten, M.1    Müllen, K.2    Tyutyulkov, N.3    Madjarova, G.4
  • 16
    • 84981389632 scopus 로고
    • Tyutyulkov, N.; Polansky, O. E. Chem. Phys. Lett, 1989, 139, 281-283. Baumgarten, M.; Müllen, K.; Tyutyulkov, N.; Madjarova, G. Chem. Phys. 1993, 169, 81-84. Madjarova, G.; Baumgarten, M.; Müllen, K.; Tyutyulkov, N. Macromol. Theory Simul. 1994, 3, 803-815.
    • (1994) Macromol. Theory Simul. , vol.3 , pp. 803-815
    • Madjarova, G.1    Baumgarten, M.2    Müllen, K.3    Tyutyulkov, N.4
  • 17
    • 0003648868 scopus 로고
    • Patai, S., Rappaport, Z., Eds.; Wiley: New York, Chapter 10
    • Berson, J. A. In The Chemistry of Quinoid Compounds; Patai, S., Rappaport, Z., Eds.; Wiley: New York, 1988; Vol. 2, Chapter 10. Fort, R. C., Jr.; Getty, S. J.; Hrovat, D. A.; Lahti, P. M.; Borden, W. T. J. Am. Chem. Soc. 1992, 114, 7549-7552.
    • (1988) The Chemistry of Quinoid Compounds , vol.2
    • Berson, J.A.1
  • 27
    • 85088544243 scopus 로고    scopus 로고
    • 2+
    • 2+
  • 28
    • 85088544043 scopus 로고    scopus 로고
    • note
    • 2+ were 2.473 and 2.695, respectively.
  • 29
    • 7044266847 scopus 로고
    • There is a suggestion that the UHF method is preferred to the ROHF method for optimizing the geometries of triplet states; see, for instance: Borden, W. T.; Davidson, E. R.; Feller, D. Tetrahedron 1982, 38, 737-739.
    • (1982) Tetrahedron , vol.38 , pp. 737-739
    • Borden, W.T.1    Davidson, E.R.2    Feller, D.3
  • 32
    • 0343419536 scopus 로고
    • See, for recent examples: Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1994, 116, 6327-6331. Liu, R.; Morokuma, K.; Mebel, A. M.; Lin, M. C. J. Phys. Chem. 1996, 100, 9314-9322.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 6327-6331
    • Hrovat, D.A.1    Borden, W.T.2
  • 33
    • 0030134159 scopus 로고    scopus 로고
    • See, for recent examples: Hrovat, D. A.; Borden, W. T. J. Am. Chem. Soc. 1994, 116, 6327-6331. Liu, R.; Morokuma, K.; Mebel, A. M.; Lin, M. C. J. Phys. Chem. 1996, 100, 9314-9322.
    • (1996) J. Phys. Chem. , vol.100 , pp. 9314-9322
    • Liu, R.1    Morokuma, K.2    Mebel, A.M.3    Lin, M.C.4
  • 38
    • 85088542017 scopus 로고    scopus 로고
    • note
    • 2+ (see text).
  • 39
    • 1542444306 scopus 로고    scopus 로고
    • In order to justify these noticeable changes, it may be necessary to perform further geometry reoptimizations including σ-π correlation
    • In order to justify these noticeable changes, it may be necessary to perform further geometry reoptimizations including σ-π correlation.
  • 41
    • 33845184838 scopus 로고
    • Pyckhout, W.; Callaerts, I.; Van Anselroy, C.; Geise, H. J.; Amenningen, A.; Seip, R. J. Mol. Struct. 1986, 147, 321-329. Wiberg, K. B.; Nakaji, D.; Breneman, C. M. J. Am. Chem. Soc. 1989, 111, 4178-4190. Creuzert, S.; Langlet, J. Chem. Phys. Lett. 1993, 208, 511-516.
    • (1989) Am. Chem. Soc. , vol.111 , pp. 4178-4190
    • Wiberg, K.B.1    Nakaji, D.2    Breneman, C.M.J.3
  • 42
    • 0001234935 scopus 로고
    • Pyckhout, W.; Callaerts, I.; Van Anselroy, C.; Geise, H. J.; Amenningen, A.; Seip, R. J. Mol. Struct. 1986, 147, 321-329. Wiberg, K. B.; Nakaji, D.; Breneman, C. M. J. Am. Chem. Soc. 1989, 111, 4178-4190. Creuzert, S.; Langlet, J. Chem. Phys. Lett. 1993, 208, 511-516.
    • (1993) Chem. Phys. Lett. , vol.208 , pp. 511-516
    • Creuzert, S.1    Langlet, J.2
  • 45
    • 77956779984 scopus 로고
    • Becke, A. D. J. Chem. Phys. 1992, 96, 2155-2160; 1992, 97, 9173-9177; 1993, 98, 5648-5652.
    • (1992) J. Chem. Phys. , vol.96 , pp. 2155-2160
    • Becke, A.D.1
  • 46
    • 0001161681 scopus 로고
    • Becke, A. D. J. Chem. Phys. 1992, 96, 2155-2160; 1992, 97, 9173-9177; 1993, 98, 5648-5652.
    • (1992) J. Chem. Phys. , vol.97 , pp. 9173-9177
  • 47
    • 0000189651 scopus 로고
    • Becke, A. D. J. Chem. Phys. 1992, 96, 2155-2160; 1992, 97, 9173-9177; 1993, 98, 5648-5652.
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
  • 49
    • 85088543392 scopus 로고    scopus 로고
    • 2〉 values were very close to the exact value 2.0 required for the triplet state
    • 2〉 values were very close to the exact value 2.0 required for the triplet state.
  • 50
    • 33847804039 scopus 로고
    • The new bond formation at the ortho and para positions is frequently pointed out to be the main culprit in the kinetic instability of arylaminium radicals. See, for example: Reynolds, R.; Line, L. L.; Nelson, R. F. J. Am. Chem. Soc. 1974, 96, 1087-1092.
    • (1974) J. Am. Chem. Soc. , vol.96 , pp. 1087-1092
    • Reynolds, R.1    Line, L.L.2    Nelson, R.F.3
  • 51
    • 84987072543 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1994) Int. J. Quantum Chem. , vol.52 , pp. 879-901
    • Eriksson, L.A.1    Malkin, V.G.2    Malkina, O.L.3    Shalahub, D.R.4
  • 52
    • 36449005689 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1994) J. Chem. Phys. , vol.100 , pp. 5066-5075
    • Eriksson, L.A.1    Malkina, O.L.2    Malkin, V.G.3    Shalahub, D.R.4
  • 53
    • 33751158074 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1994) J. Chem. Phys. , vol.98 , pp. 8648-8652
    • Adamo, C.1    Barone, V.2    Fortunelli, A.3
  • 54
    • 0002639966 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1993) Phys. Rev. A , vol.48 , pp. 1691-1694
    • Ishii, N.1    Shimizu, T.2
  • 55
    • 0042177022 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1994) Chem. Phys. Lett. , vol.225 , pp. 462-466
    • Ishii, N.1    Shimizu, T.2
  • 56
    • 0000107672 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1995) Chem. Phys. Lett. , vol.234 , pp. 405-412
    • Cohen, M.J.1    Chong, D.P.2
  • 57
    • 0001166119 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1994) J. Chem. Phys. , vol.100 , pp. 6558-6561
    • Oliphant, N.1    Bartlett, R.J.2
  • 58
    • 36448999335 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1995) J. Chem. Phys. , vol.102 , pp. 1689-1698
    • Qin, Y.1    Wheeler, R.A.2
  • 59
    • 0001166119 scopus 로고
    • Eriksson, L. A.; Malkin, V. G.; Malkina, O. L.; Shalahub, D. R. Int. J. Quantum Chem. 1994, 52, 879-901. Eriksson, L. A.; Malkina O. L.; Malkin, V. G.; Shalahub, D. R. J. Chem. Phys. 1994, 100, 5066-5075. Adamo, C; Barone, V; Fortunelli, A. J. Chem. Phys. 1994, 98, 8648-8652. Ishii, N; Shimizu, T. Phys. Rev. A 1993, 48, 1691-1694. Ishii, N; Shimizu, T. Chem. Phys. Lett. 1994, 225, 462-466. Cohen, M. J.; Chong, D. P. Chem. Phys. Lett. 1995, 234, 405-412. Oliphant, N.; Bartlett, R. J. J. Chem. Phys. 1994, 100, 6558-6561. Qin, Y.; Wheeler, R. A. J. Chem. Phys. 1995, 102, 1689-1698. Qin, Y.; Wheeler, R. A. J. Am. Chem. Soc. 1995, 117, 6083-6092.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 6083-6092
    • Qin, Y.1    Wheeler, R.A.2
  • 64


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