SCOPUS 정보 검색 플랫폼

Journal of Molecular Structure: THEOCHEM

Volumn 633, Issue 2-3, 2003, Pages 123-136

Calculation of ring-current susceptibilities for potentially homoaromatic hydrocarbons

(3) Jusélius, Jonas a Patzschke, Michael a Sundholm, Dage a

a UNIVERSITY OF HELSINKI (Finland)

Author keywords

Ab initio; Aromaticity; Density functional theory; Homoaromaticity; Magnetic shielding; Ring current

Indexed keywords

AROMATIC HYDROCARBON;

AB INITIO CALCULATION; ARTICLE; ELECTROCHEMISTRY; MAGNETIC FIELD; PROTON NUCLEAR MAGNETIC RESONANCE;

EID: 0041468987 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(03)00267-7 Document Type: Article

Times cited : (26)

References (71)

1
- 0001445159
- S. Winstein, J. Am. Chem. Soc. 81 (1959) 6524.
- (1959) J. Am. Chem. Soc. , vol.81 , pp. 6524
- Winstein, S.¹

2
- 0000415306
- R.F. Childs, Acc. Chem. Res. 17 (1984) 347.
- (1984) Acc. Chem. Res. , vol.17 , pp. 347
- Childs, R.F.¹

3
- 0035353517
- R.V. Williams, Chem. Rev. 101 (2001) 1185.
- (2001) Chem. Rev. , vol.101 , pp. 1185
- Williams, R.V.¹

4
- 0041659457
- J.L. von Rosenberg Jr., J.E. Mahler, R. Petit, J. Am. Chem. Soc. 84 (1962) 2842.
- (1962) J. Am. Chem. Soc. , vol.84 , pp. 2842
- Von Rosenberg J.L., Jr.¹ Mahler, J.E.² Petit, R.³

5
- 0042160411
- P. Warner, D.L. Harris, C.H. Bradley, S. Winstein, Tetrahedron Lett. 11 (1970) 4013.
- (1970) Tetrahedron Lett. , vol.11 , pp. 4013
- Warner, P.¹ Harris, D.L.² Bradley, C.H.³ Winstein, S.⁴

6
- 0001692368
- W.L. Jorgensen, J. Am. Chem. Soc. 98 (1976) 6784.
- (1976) J. Am. Chem. Soc. , vol.98 , pp. 6784
- Jorgensen, W.L.¹

7
- 0013373332
- E. Kaufmann, H. Mayr, J. Chandrasekhar, P. von Ragué Schleyer, J. Am. Chem. Soc. 103 (1981) 1375.
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 1375
- Kaufmann, E.¹ Mayr, H.² Chandrasekhar, J.³ Von Ragué Schleyer, P.⁴

8
- 0013425701
- J.B. Grutzner, W.L. Jorgensen, J. Am. Chem. Soc. 103 (1981) 1372.
- (1981) J. Am. Chem. Soc. , vol.103 , pp. 1372
- Grutzner, J.B.¹ Jorgensen, W.L.²

9
- 0013325086
- R.C. Haddon, J. Am. Chem. Soc. 110 (1988) 1108.
- (1988) J. Am. Chem. Soc. , vol.110 , pp. 1108
- Haddon, R.C.¹

10
- 37049070339
- P. Svensson, F. Reichel, P. Ahlberg, D. Cremer, J. Chem. Soc. Perkin Trans. 2 (1991) 1463.
- (1991) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 1463
- Svensson, P.¹ Reichel, F.² Ahlberg, P.³ Cremer, D.⁴

11
- 0000557867
- D. Cremer, F. Reichel, E. Kraka, J. Am. Chem. Soc. 113 (1991) 9459.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 9459
- Cremer, D.¹ Reichel, F.² Kraka, E.³

12
- 33748214928
- R. Willershausen, C. Kybart, N. Stamatis, W. Massa, M. Bühl, P. von Ragué Schleyer, A. Berndt, Angew. Chem. Int. Ed. Engl. 31 (1992) 1238.
- (1992) Angew. Chem. Int. Ed. Engl. , vol.31 , pp. 1238
- Willershausen, R.¹ Kybart, C.² Stamatis, N.³ Massa, W.⁴ Bühl, M.⁵ Von Ragué Schleyer, P.⁶ Berndt, A.⁷

13
- 0000821166
- D. Cremer, P. Svensson, E. Kraka, Z. Konkoli, P. Ahlberg, J. Am. Chem. Soc. 115 (1993) 7457.
- (1993) J. Am. Chem. Soc. , vol.115 , pp. 7457
- Cremer, D.¹ Svensson, P.² Kraka, E.³ Konkoli, Z.⁴ Ahlberg, P.⁵

14
- 0000674896
- H. Jiao, N.J.R. van Eikema Hommes, P. von Ragué Schleyer, A. de Meijere, J. Org. Chem. 61 (1996) 2826.
- (1996) J. Org. Chem. , vol.61 , pp. 2826
- Jiao, H.¹ Van Eikema Hommes, N.J.R.² Von Ragué Schleyer, P.³ De Meijere, A.⁴

15
- 0000799229
- R. Nishinaga, Y. Izukawa, K. Komatsu, J. Phys. Org. Chem. 11 (1998) 475.
- (1998) J. Phys. Org. Chem. , vol.11 , pp. 475
- Nishinaga, R.¹ Izukawa, Y.² Komatsu, K.³

16
- 0034995594
- C. Lepetit, C. Godard, R. Chauvin, New J. Chem. 25 (2001) 572.
- (2001) New J. Chem. , vol.25 , pp. 572
- Lepetit, C.¹ Godard, C.² Chauvin, R.³

17
- 0036499893
- D. Scheschkewitz, M. Hofmann, A. Ghaffari, P. Amseis, C. Präsang, W. Mesbah, G. Geiseler, W. Massa, A. Berndt, J. Organometallic Chem. 646 (2002) 262.
- (2002) J. Organometallic Chem. , vol.646 , pp. 262
- Scheschkewitz, D.¹ Hofmann, M.² Ghaffari, A.³ Amseis, P.⁴ Präsang, C.⁵ Mesbah, W.⁶ Geiseler, G.⁷ Massa, W.⁸ Berndt, A.⁹

18
- 0018784178
- K.N. Houk, R. Wells Gandour, R.W. Strozier, N.G. Rondan, L.A. Paquette, J. Am. Chem. Soc. 101 (1979) 6797.
- (1979) J. Am. Chem. Soc. , vol.101 , pp. 6797
- Houk, K.N.¹ Wells Gandour, R.² Strozier, R.W.³ Rondan, N.G.⁴ Paquette, L.A.⁵

19
- 0033174939
- J. Jusélius, D. Sundholm, Phys. Chem. Chem. Phys. 1 (1999) 3429.
- (1999) Phys. Chem. Chem. Phys. , vol.1 , pp. 3429
- Jusélius, J.¹ Sundholm, D.²

20
- 0034656440
- J. Jusélius, D. Sundholm, Phys. Chem. Chem. Phys. 2 (2000) 2145.
- (2000) Phys. Chem. Chem. Phys. , vol.2 , pp. 2145
- Jusélius, J.¹ Sundholm, D.²

21
- 0039759801
- J. Jusélius, D. Sundholm, J. Org. Chem. 65 (2000) 5233.
- (2000) J. Org. Chem. , vol.65 , pp. 5233
- Jusélius, J.¹ Sundholm, D.²

22
- 0034940002
- J. Jusélius, D. Sundholm, Phys. Chem. Chem. Phys. 3 (2001) 2433.
- (2001) Phys. Chem. Chem. Phys. , vol.3 , pp. 2433
- Jusélius, J.¹ Sundholm, D.²

23
- 0035525998
- J. Jusélius, M. Straka, D. Sundholm, J. Phys. Chem. A 105 (2001) 9939.
- (2001) J. Phys. Chem. A , vol.105 , pp. 9939
- Jusélius, J.¹ Straka, M.² Sundholm, D.³

24
- 0041030351
- R.J.F. Berger, M.A. Schmidt, J. Jusélius, D. Sundholm, P. Sirsch, H. Schmidbaur, Z. Naturforsch. b 56 (2001) 979.
- (2001) Z. Naturforsch. B , vol.56 , pp. 979
- Berger, R.J.F.¹ Schmidt, M.A.² Jusélius, J.³ Sundholm, D.⁴ Sirsch, P.⁵ Schmidbaur, H.⁶

25
- 0011190497
- P. von Ragué Schleyer, C. Maerker, A. Dransfeld, H. Jiao, N.J.R. van Eikema Hommes, J. Am. Chem. Soc. 118 (1996) 6317.
- (1996) J. Am. Chem. Soc. , vol.118 , pp. 6317
- Von Ragué Schleyer, P.¹ Maerker, C.² Dransfeld, A.³ Jiao, H.⁴ Van Eikema Hommes, N.J.R.⁵

26
- 0030457576
- G. Subramanian, P. von Ragué Schleyer, H. Jiao, Angew. Chem. Int. Ed. Engl. 35 (1996) 2638.
- (1996) Angew. Chem. Int. Ed. Engl. , vol.35 , pp. 2638
- Subramanian, G.¹ Von Ragué Schleyer, P.² Jiao, H.³

27
- 0000967530
- L. Pauling, J. Chem. Phys. 4 (1936) 637.
- (1936) J. Chem. Phys. , vol.4 , pp. 637
- Pauling, L.¹

28
- 0000719180
- F. London, J. Phys. Radium 8 (1937) 397.
- (1937) J. Phys. Radium , vol.8 , pp. 397
- London, F.¹

29
- 0001532644
- J.A. Pople, J. Chem. Phys. 24 (1956) 1111.
- (1956) J. Chem. Phys. , vol.24 , pp. 1111
- Pople, J.A.¹

30
- 0345674016
- J.A. Pople, Mol. Phys. 1 (1958) 175.
- (1958) Mol. Phys. , vol.1 , pp. 175
- Pople, J.A.¹

31
- 0141979985
- R. McWeeny, Mol. Phys. 1 (1958) 311.
- (1958) Mol. Phys. , vol.1 , pp. 311
- McWeeny, R.¹

32
- 37049055216
- J.A. Elvidge, L.M. Jackman, J. Chem. Soc. (1961) 859.
- (1961) J. Chem. Soc. , pp. 859
- Elvidge, J.A.¹ Jackman, L.M.²

33
- 0011560249
- R.J. Abraham, R.C. Sheppard, W.A. Thomas, S. Turner, Chem. Comm. (1965) 43.
- (1965) Chem. Comm. , pp. 43
- Abraham, R.J.¹ Sheppard, R.C.² Thomas, W.A.³ Turner, S.⁴

34
- 0001899718
- J.A. Tossell (Ed.), Kluwer Academic Publishers, Drodrecht
- W. Kutzelnigg, C. van Wüllen, U. Fleischer, R. Franke, T.V. Mourik, Nuclear Magnetic Shieldings and Molecular Structure, in: J.A. Tossell (Ed.), Kluwer Academic Publishers, Drodrecht, 1993, pp. 141-161.
- (1993) Nuclear Magnetic Shieldings and Molecular Structure , pp. 141-161
- Kutzelnigg, W.¹ Van Wüllen, C.² Fleischer, U.³ Franke, R.⁴ Mourik, T.V.⁵

35
- 0004142484
- Wiley, New York
- V.I. Minkin, M.N. Glukhovtsev, B.Y. Simkin, Aromaticity and Antiaromaticity - Electronic and Structural Aspects, Wiley, New York, 1994.
- (1994) Aromaticity and Antiaromaticity - Electronic and Structural Aspects
- Minkin, V.I.¹ Glukhovtsev, M.N.² Simkin, B.Y.³

36
- 0000446410
- U. Fleischer, W. Kutzelnigg, P. Lazzeretti, V. Mühlenkamp, J. Am. Chem. Soc. 116 (1994) 5298.
- (1994) J. Am. Chem. Soc. , vol.116 , pp. 5298
- Fleischer, U.¹ Kutzelnigg, W.² Lazzeretti, P.³ Mühlenkamp, V.⁴

37
- 0001641743
- M. Bilde, A. Hansen, Mol. Phys. 92 (1997) 237.
- (1997) Mol. Phys. , vol.92 , pp. 237
- Bilde, M.¹ Hansen, A.²

38
- 0033583142
- I. Morao, F.P. Cossío, J. Org. Chem. 64 (1999) 1868.
- (1999) J. Org. Chem. , vol.64 , pp. 1868
- Morao, I.¹ Cossío, F.P.²

39
- 0141876111
- P. Lazzeretti, Prog. Nucl. Magn. Res. Spectr. 36 (2000) 1.
- (2000) Prog. Nucl. Magn. Res. Spectr. , vol.36 , pp. 1
- Lazzeretti, P.¹

40
- 0004027301
- Academic Press, Orlando
- G. Arfken, Mathematical Methods for Physicists, Academic Press, Orlando, 1985.
- (1985) Mathematical Methods for Physicists
- Arfken, G.¹

41
- 22944484208
- K. Eichkorn, O. Treutler, H. Öhm, M. Häser, R. Ahlrichs, Chem. Phys. Lett. 240 (1995) 283.
- (1995) Chem. Phys. Lett. , vol.240 , pp. 283
- Eichkorn, K.¹ Treutler, O.² Öhm, H.³ Häser, M.⁴ Ahlrichs, R.⁵

42
- 0000216001
- S.H. Vosko, L. Wilk, M. Nusair, Can. J. Phys. 58 (1980) 1200.
- (1980) Can. J. Phys. , vol.58 , pp. 1200
- Vosko, S.H.¹ Wilk, L.² Nusair, M.³

43
- 5944261746
- J.P. Perdew, Phys. Rev. B 33 (1986) 8822.
- (1986) Phys. Rev. B , vol.33 , pp. 8822
- Perdew, J.P.¹

44
- 4243553426
- A.D. Becke, Phys. Rev. A 38 (1988) 3098.
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

45
- 4243539377
- R. Ahlrichs, M. Bär, M. Häser, H. Horn, C. Kölmel, Chem. Phys. Lett. 162 (1989) 165.
- (1989) Chem. Phys. Lett. , vol.162 , pp. 165
- Ahlrichs, R.¹ Bär, M.² Häser, M.³ Horn, H.⁴ Kölmel, C.⁵

46
- 0000483472
- M. Häser, R. Ahlrichs, H.P. Baron, P. Weis, H. Horn, Theoret. Chim. Acta 83 (1992) 551.
- (1992) Theoret. Chim. Acta , vol.83 , pp. 551
- Häser, M.¹ Ahlrichs, R.² Baron, H.P.³ Weis, P.⁴ Horn, H.⁵

47
- 0032072508
- M. Kollwitz, M. Häser, J. Gauss, J. Chem. Phys. 108 (1998) 8295.
- (1998) J. Chem. Phys. , vol.108 , pp. 8295
- Kollwitz, M.¹ Häser, M.² Gauss, J.³

48
- 33751023272
- H. Hameka, Mol. Phys. 1 (1958) 203.
- (1958) Mol. Phys. , vol.1 , pp. 203
- Hameka, H.¹

49
- 40749094858
- R. Ditchfield, Mol. Phys. 27 (1974) 789.
- (1974) Mol. Phys. , vol.27 , pp. 789
- Ditchfield, R.¹

50
- 11744305193
- K. Wolinski, J.F. Hinton, P. Pulay, J. Am. Chem. Soc. 112 (1990) 8251.
- (1990) J. Am. Chem. Soc. , vol.112 , pp. 8251
- Wolinski, K.¹ Hinton, J.F.² Pulay, P.³

51
- 26344435738
- A. Schäfer, H. Horn, R. Ahlrichs, J. Chem. Phys. 97 (1992) 2571.
- (1992) J. Chem. Phys. , vol.97 , pp. 2571
- Schäfer, A.¹ Horn, H.² Ahlrichs, R.³

52
- 0039209924
- A. Schäfer, C. Huber, R. Ahlrichs, J. Chem. Phys. 100 (1994) 5829.
- (1994) J. Chem. Phys. , vol.100 , pp. 5829
- Schäfer, A.¹ Huber, C.² Ahlrichs, R.³

53
- 1542365896
- D. Feller, E.D. Glendening, D.E. Woon, M.W. Feyereisen, J. Chem. Phys. 103 (1995) 3526.
- (1995) J. Chem. Phys. , vol.103 , pp. 3526
- Feller, D.¹ Glendening, E.D.² Woon, D.E.³ Feyereisen, M.W.⁴

54
- 0030079225
- M.W. Feyereisen, D. Feller, D.A. Dixon, J. Phys. Chem. 100 (1996) 2993.
- (1996) J. Phys. Chem. , vol.100 , pp. 2993
- Feyereisen, M.W.¹ Feller, D.² Dixon, D.A.³

55
- 0031285839
- F. Weigend, M. Häser, Theoret. Chem. Acc. 97 (1997) 331.
- (1997) Theoret. Chem. Acc. , vol.97 , pp. 331
- Weigend, F.¹ Häser, M.²

56
- 0001599694
- J.M. Schulman, R.L. Disch, M.L. Sabio, J. Am. Chem. Soc. 106 (1984) 7696.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 7696
- Schulman, J.M.¹ Disch, R.L.² Sabio, M.L.³

57
- 0006418989
- F. Liebman, A. Skancke, Mol. Phys. 91 (1997) 471.
- (1997) Mol. Phys. , vol.91 , pp. 471
- Liebman, F.¹ Skancke, A.²

58
- 85031070060
- http://www.chem.helsinki.fi/~sundholm/qc/homoaromatic

59
- 8444249015
- A. Julg, P. Frangois, Theoret. Chim. Acta 8 (1967) 249.
- (1967) Theoret. Chim. Acta , vol.8 , pp. 249
- Julg, A.¹ Frangois, P.²

60
- 84986958669
- K. Jug, A. Köster, J. Phys. Org. Chem. 4 (1991) 163.
- (1991) J. Phys. Org. Chem. , vol.4 , pp. 163
- Jug, K.¹ Köster, A.²

61
- 0000547830
- R.V. Williams, H.A. Kurtz, J. Org. Chem. 53 (1988) 3626.
- (1988) J. Org. Chem. , vol.53 , pp. 3626
- Williams, R.V.¹ Kurtz, H.A.²

62
- 0001320323
- W.H. Donovan, W.E. White, J. Org. Chem. 61 (1996) 969.
- (1996) J. Org. Chem. , vol.61 , pp. 969
- Donovan, W.H.¹ White, W.E.²

63
- 0035810502
- R. Herges, D. Geuenich, J. Phys. Chem. A 105 (2001) 3214.
- (2001) J. Phys. Chem. A , vol.105 , pp. 3214
- Herges, R.¹ Geuenich, D.²

64
- 0003909854
- Wiley, New York
- H. Günther, NMR Spectroscopy, Wiley, New York, 1980.
- (1980) NMR Spectroscopy
- Günther, H.¹

65
- 33845550221
- M. Schindler, W. Kutzelnigg, J. Am. Chem. Soc. 105 (1983) 1360.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 1360
- Schindler, M.¹ Kutzelnigg, W.²

66
- 0008091833
- G.A. Olah, J.S. Staral, R.J. Spear, G. Liang, J. Am. Chem. Soc. 97 (1975) 5489.
- (1975) J. Am. Chem. Soc. , vol.97 , pp. 5489
- Olah, G.A.¹ Staral, J.S.² Spear, R.J.³ Liang, G.⁴

67
- 33947093030
- G.A. Olah, G. Asensio, H. Mayr, P. von Ragué Schleyer, J. Am. Chem. Soc. 100 (1978) 4347.
- (1978) J. Am. Chem. Soc. , vol.100 , pp. 4347
- Olah, G.A.¹ Asensio, G.² Mayr, H.³ Von Ragué Schleyer, P.⁴

68
- 0000265548
- L.A. Paquette, Angew. Chem. Int. Ed. Engl. 90 (1978) 114.
- (1978) Angew. Chem. Int. Ed. Engl. , vol.90 , pp. 114
- Paquette, L.A.¹

69
- 0003909854
- Wiley, New York
- H. Günther, NMR Spectroscopy, Wiley, New York, 1995.
- (1995) NMR Spectroscopy
- Günther, H.¹

70
- 0042588768
- L.A. Paquette, M.J. Broadhurst, P. Warner, G.A. Olah, G. Liang, J. Am. Chem. Soc. 95 (1973) 3386.
- (1973) J. Am. Chem. Soc. , vol.95 , pp. 3386
- Paquette, L.A.¹ Broadhurst, M.J.² Warner, P.³ Olah, G.A.⁴ Liang, G.⁵

71
- 33748604254
- W. Gombler, Z. Naturforsch. 36B (1981) 1561.
- (1981) Z. Naturforsch. , vol.36 B , pp. 1561
- Gombler, W.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.