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International Journal of Quantum Chemistry

Volumn 85, Issue 4-5, 2001, Pages 492-508

meta and para substitution effects on the electronic state energies and ring-expansion reactivities of phenylnitrenes

(3) Johnson, William T G a Sullivan, Michael B a Cramer, Christopher J a

a UNIVERSITY OF MINNESOTA (United States)

Author keywords

Configuration interaction; Density functional theory; Excited states; Nitrene didehydroazepine; Photoaffinity labels; Photochemistry; Ring expansion

Indexed keywords

ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; ENTHALPY; GROUND STATE; MATHEMATICAL MODELS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS;

PHENYLNITRENES; PHOTOAFFINITY LABELS; RING EXPANSION;

PHENOLS;

EID: 0035890727 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.1518 Document Type: Conference Paper

Times cited : (84)

References (95)

1
- 0004246163
- Nelson London
- (1969) Carbenes, Nitrenes, and Arynes
- Gilchrist, T.L.¹ Rees, C.W.²

2
- 0001136058
- (1995) Acc Chem Res , vol.28 , pp. 487
- Platz, M.S.¹

3
- 0033711142
- (2000) Acc Chem Res , vol.33 , pp. 765
- Borden, W.T.¹ Gritsan, N.P.² Hadad, C.M.³ Karney, W.L.⁴ Kemnitz, C.R.⁵ Platz, M.S.⁶

4
- 0002120722
- (1992) Adv Photochem , vol.17 , pp. 69
- Schuster, G.B.¹ Platz, M.S.²

5
- 0001767095
- (1992) J Am Chem Soc , vol.114 , pp. 8699
- Travers, M.J.¹ Cowles, D.C.² Clifford, E.P.³ Ellison, G.B.⁴

6
- 0000234898
- (1993) J Am Chem Soc , vol.115 , pp. 10857
- McDonald, R.N.¹ Davidson, S.J.²

7
- 0030916668
- (1997) J Am Chem Soc , vol.119 , pp. 5059
- Gritsan, N.P.¹ Yuzawa, T.² Platz, M.S.³

8
- 0001462132
- (1999) J Phys Chem A , vol.103 , pp. 5003
- Kozankiewicz, B.¹ Deperasiñska, I.² Zhai, H.B.³ Zhu, Z.⁴ Hadad, C.M.⁵

9
- 0033577015
- (1999) J Am Chem Soc , vol.121 , pp. 1202
- Gritsan, N.P.¹ Zhu, Z.² Hadad, C.M.³ Platz, M.S.⁴

10
- 0001362419
- (1992) J Am Chem Soc , vol.114 , pp. 5349
- Kim, S.-J.¹ Hamilton, T.P.² Schaefer III, H.F.³

11
- 0001706391
- (1992) J Am Chem Soc , vol.114 , pp. 8698
- Hrovat, D.A.¹ Waali, E.E.² Borden, W.T.³

12
- 0029943459
- (1996) J Am Chem Soc , vol.118 , pp. 5490
- Smith, B.A.¹ Cramer, C.J.²

13
- 0002287146
- (1996) J Comput Chem , vol.17 , pp. 42
- Castell, O.¹ Garcia, V.M.² Bo, C.³ Caballol, R.⁴

14
- 0030996156
- (1997) J Am Chem Soc , vol.119 , pp. 3347
- Karney, W.L.¹ Borden, W.T.²

15
- 0032522109
- (1998) J Am Chem Soc , vol.120 , pp. 3499
- Kemnitz, C.R.¹ Karney, W.L.² Borden, W.T.³

16
- 0006647917
- (1973) Tetrahedron Lett , vol.2 , pp. 99
- Banks, R.E.¹ Prakash, A.²

17
- 0006735615
- (1974) J Chem Soc Perkin Trans , vol.1 , pp. 11365
- Banks, R.E.¹ Prakash, A.J.²

18
- 0001019774
- (1992) J Am Chem Soc , vol.114 , pp. 5054
- Poe, R.¹ Schnapp, K.² Young, M.J.T.³ Grayzar, J.⁴ Platz, M.S.⁵

19
- 0000281599
- (1992) J Org Chem , vol.57 , pp. 1299
- Cai, S.X.¹ Glenn, D.J.² Keana, J.F.W.³

20
- 0027572647
- (1993) Bioconjugate Chem , vol.4 , pp. 178
- Schnapp, K.A.¹ Platz, M.S.²

21
- 0027572579
- (1993) Bioconjugate Chem , vol.4 , pp. 172
- Schnapp, K.A.¹ Poe, R.² Leyva, E.³ Soundararajan, N.⁴ Platz, M.S.⁵

22
- 0006698234
- (1997) J Phys Org Chem , vol.10 , pp. 22
- Zhai, H.¹ Platz, M.S.²

23
- 0030887839
- (1997) Photochem Photobiol , vol.65 , pp. 208
- Pandurangi, R.S.¹ Karra, S.R.² Kuntz, R.R.³ Volkert, W.A.⁴

24
- 0031009163
- (1997) J Org Chem , vol.62 , pp. 2798
- Pandurangi, R.S.¹ Karra, S.R.² Katti, K.V.³ Kuntz, R.R.⁴ Volkert, W.A.⁵

25
- 0000235516
- (1997) J Phys Chem A , vol.101 , pp. 2833
- Gritsan, N.P.¹ Zhai, H.B.² Yuzawa, T.³ Karweik, D.⁴ Brooke, J.⁵ Platz, M.S.⁶

26
- 0000328867
- (1999) J Phys Chem A , vol.103 , pp. 4465
- Gritsan, N.P.¹ Tigelaar, D.² Platz, M.S.³

27
- 0000328868
- (1999) J Phys Chem A , vol.103 , pp. 3458
- Gritsan, N.P.¹ Gudmundsdóttir, A.D.² Tigelaar, D.³ Platz, M.S.⁴

28
- 0034354160
- (2000) Russ Chem Bull , vol.49 , pp. 50
- Pol'shakov, D.A.¹ Tsentalovich, Y.P.² Gritsan, N.P.³

29
- 0000315234
- (1995) J Am Chem Soc , vol.117 , pp. 4173
- McClelland, R.A.¹ Davidse, P.A.² Hadzialic, G.³

30
- 13044308460
- (1996) J Phys Org Chem , vol.9 , pp. 355
- McClelland, R.A.¹ Kahley, M.J.² Davidse, P.A.³

31
- 0032455297
- (1998) Can J Chem , vol.76 , pp. 1327
- McLelland, R.A.¹ Gadosy, T.A.² Ren, D.³

32
- 0001098958
- (1999) J Chem Soc Perkin Trans , vol.2 , pp. 1601
- Ramlall, P.¹ Li, Y.Z.² McClelland, R.A.³

33
- 0000774184
- (1999) J Chem Soc Perkin Trans , vol.2 , pp. 1591
- Bose, R.¹ Ahmad, A.R.² Dicks, A.P.³ Novak, M.⁴ Kayser, K.J.⁵ McClelland, R.A.⁶

34
- 0033599333
- (1999) J Am Chem Soc , vol.121 , pp. 1459
- Gadosy, T.A.¹ McClelland, R.A.²

35
- 0003467672
- Wiley: New York
- (1992) Advanced Organic Chemistry, 4th Ed.
- March, J.¹

36
- 0030988972
- (1997) J Am Chem Soc , vol.119 , pp. 1378
- Karney, W.L.¹ Borden, W.T.²

37
- 0035925078
- (2001) J Am Chem Soc , vol.123 , pp. 1425
- Gritsan, N.P.¹ Likhotvorik, I.² Tsao, M.-L.³ Celebi, N.⁴ Platz, M.S.⁵ Karney, W.L.⁶ Kemnitz, C.R.⁷ Borden, W.T.⁸

38
- 0035820012
- (2001) J Am Chem Soc , vol.123 , pp. 1951
- Gritsan, N.P.¹ Gudmundsdóttir, A.D.² Tigelaar, D.³ Zhu, Z.⁴ Karney, W.L.⁵ Hadad, C.M.⁶ Platz, M.S.⁷

39
- 33747866218
- (1935) Chem Rev , vol.17 , pp. 125
- Hammett, L.P.¹

40
- 0004053307
- Chapman, N. B.; Shorter, J., Eds.; Plenum: New York
- (1978) Correlation Analysis in Chemistry: Recent Advances

41
- 0023315713
- (1987) Angew Chem Int Ed Eng , vol.26 , pp. 170
- Bonacic-Koutecky, V.¹ Koutecky, J.² Michl, J.³

42
- 0003581880
- Wiley: New York
- (1990) Electronic Aspects of Organic Photochemistry , pp. 367
- Michl, J.¹ Bonacic-Koutecky, V.²

43
- 0006705830
- (1996) J Am Chem Soc , vol.118 , pp. 2568
- Michl, J.¹

44
- 0000567176
- Lawley, K. P., Ed.; Wiley: New York
- (1987) Ab Initio Methods in Quantum Chemistry , vol.2 , pp. 399
- Roos, B.O.¹

45
- 33746614482
- (1989) J Chem Phys , vol.90 , pp. 1007
- Dunning, T.H.¹

46
- 0001564826
- (1992) Can J Chem , vol.70 , pp. 409
- Barandiaran, Z.¹ Seijo, L.²

47
- 0010909615
- (1994) J Chem Phys , vol.101 , pp. 4049
- Barandiaran, Z.¹ Seijo, L.²

48
- 0003399528
- Wiley: New York
- (1986) Ab Inition Molecular Orbital Theory
- Hehre, W.J.¹ Radom, L.² Schleyer, P.V.R.³ Pople, J.A.⁴

49
- 0000541370
- (1998) Annu Rev Phys Chem , vol.49 , pp. 233
- Schmidt, M.W.¹ Gordon, M.S.²

50
- 0013004607
- (1990) J Phys Chem , vol.94 , pp. 5483
- Andersson, K.¹ Malmqvist, P.-Å.² Ross, B.O.³ Sadlej, A.J.⁴ Wolinski, K.⁵

51
- 36448998619
- (1992) J Chem Phys , vol.96 , pp. 1218
- Andersson, K.¹ Malmqvist, P.-Å.² Roos, B.O.³

52
- 84990661996
- (1993) Int J Quantum Chem , vol.45 , pp. 591
- Andersson, K.¹ Roos, B.O.²

53
- 1542474067
- Laird, B. B.; Ross, R. B.; Ziegler, T., Eds.; American Chemical Society: Washington, DC
- (1996) Density-Functional Methods in Chemistry , vol.629 , pp. 402
- Lim, M.H.¹ Worthington, S.E.² Dulles, F.J.³ Cramer, C.J.⁴

54
- 0004094220
- Lund, Sweden
- (1997) MOLCAS-4
- Andersson, K.¹ Blonberg, M.R.A.² Fülscher, M.P.³ Karlström, G.⁴ Lindh, R.⁵ Malmqvist, P.-Å.⁶ Neogrády, P.⁷ Olsen, J.⁸ Roos, B.O.⁹ Sadlej, A.J.¹⁰ Schütz, M.¹¹ Seijo, L.¹² Serrano-Andrés, L.¹³ Siegbahn, P.E.M.¹⁴ Widmark, P.-O.¹⁵

56
- 0003872652
- Stuttgart, Germany
- MOLPRO 2000
- Werner, H.-J.¹ Knowles, P.J.² Amos, R.D.³ Lindh, R.⁴ Lloyd, A.W.⁵ McNicholas, S.J.⁶ Manby, F.R.⁷ Meyer, W.⁸ Mura, M.E.⁹ Nicklass, A.¹⁰ Palmieri, P.¹¹ Pitzer, R.¹² Rauhut, G.¹³ Schütz, M.¹⁴ Stoll, H.¹⁵ Stone, A.J.¹⁶ Tarroni, R.¹⁷ Thorsteinsson, T.¹⁸

57
- 84893169025
- (1993) J Comput Chem , vol.14 , pp. 1347
- Schmidt, M.W.¹ Baldridge, K.K.² Boatz, J.A.³ Elbert, S.T.⁴ Gordon, M.S.⁵ Jensen, J.H.⁶ Koseki, S.⁷ Matsunaga, N.⁸ Nguyen, K.A.⁹ Su, S.¹⁰ Windus, T.L.¹¹ Dupuis, M.¹² Montgomery, J.A.¹³

58
- 4243553426
- (1988) Phys Rev A , vol.38 , pp. 3098
- Becke, A.D.¹

59
- 33645898818
- (1992) Phys Rev B , vol.45 , pp. 13244
- Perdew, J.¹ Wang, Y.²

60
- 0345491105
- (1988) Phys Rev B , vol.37 , pp. 785
- Lee, C.¹ Yang, W.² Parr, R.G.³

61
- 33745770836
- (1985) J Chem Phys , vol.82 , pp. 270
- Hay, P.J.¹ Wadt, W.R.²

62
- 0006073669
- (1985) J Chem Phys , vol.82 , pp. 284
- Hay, P.J.¹ Wadt, W.R.²

63
- 27344448074
- (1985) J Chem Phys , vol.82 , pp. 299
- Hay, P.J.¹ Wadt, W.R.²

64
- 10644250257
- (1964) Phys Rev B , vol.3 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

65
- 25544474582
- (1976) Phys Rev B , vol.13 , pp. 4274
- Gunnarsson, O.¹ Lundqvist, B.I.²

66
- 0006702751
- (1976) Erratum , vol.15 , pp. 6006
- Gunnarsson, O.¹ Lundqvist, B.I.²

67
- 0000436545
- (1997) J Phys Org Chem , vol.10 , pp. 755
- Worthington, S.E.¹ Cramer, C.J.J.²

68
- 0032545009
- (1998) J Am Chem Soc , vol.120 , pp. 11778
- Sullivan, M.B.¹ Brown, K.² Cramer, C.J.³ Truhlar, D.G.⁴

69
- 0035868337
- (2001) J Phys Chem A , vol.105 , pp. 2091
- Cramer, C.J.¹ Thompson, J.²

70
- 0034319445
- (2000) J Chem Phys , vol.113 , pp. 7084
- Cai, Z.¹ Tozer, D.J.² Reimers, J.R.³

71
- 0010297377
- (1977) Theor Chim Acta , vol.43 , pp. 261
- Ziegler, T.¹ Rauk, A.² Baerends, E.J.³

72
- 0000062437
- (1982) Chem Phys , vol.64 , pp. 159
- Noddleman, L.¹ Post, D.² Baerends, E.J.³

73
- 0000576127
- (1995) Chem Phys Lett , vol.245 , pp. 165
- Cramer, C.J.¹ Dulles, F.J.² Giesen, D.J.³ Almlöf, J.⁴

74
- 0000272650
- (1998) Int J Quantum Chem , vol.69 , pp. 241
- Davidson, E.¹

75
- 0032577089
- (1998) Chem Phys , vol.288 , pp. 593
- Gräfenstein, J.¹ Kraka, E.² Cremer, D.³

76
- 0034657916
- (2000) Phys Chem Chem Phys , vol.2 , pp. 2091
- Gräfenstein, J.¹ Cremer, D.²

77
- 0038252597
- (2000) J Phys Chem A , vol.104 , pp. 1748
- Gräfenstein, J.¹ Hjerpe, A.M.² Kraka, E.³ Cremer, D.⁴

78
- 0034669014
- (2000) Phys Chem Chem Phys , vol.2 , pp. 5046
- De Visser, S.P.¹ Filatov, M.² Shaik, S.³

79
- 0006663324
- personal communication of unpublished results
- Ellison, G.B.¹

80
- 5244245983
- (1955) J Am Chem Soc , vol.77 , pp. 334
- Hammond, G.S.¹

81
- 0000950458
- (1994) J Am Chem Soc , vol.116 , pp. 4929
- Kraka, E.¹ Cremer, D.²

82
- 0031576958
- (1997) Chem Phys Lett , vol.268 , pp. 313
- Kraka, E.¹ Cremer, D.² Bucher, G.³ Wandel, H.⁴ Sander, W.⁵

83
- 0031563676
- (1997) Chem Phys Lett , vol.277 , pp. 311
- Cramer, C.J.¹ Nash, J.J.² Squires, R.R.³

84
- 0032843449
- (1999) Acc Chem Res , vol.32 , pp. 669
- Sander, W.¹

85
- 0033801939
- (2000) Int J Mass Spectrom , vol.201 , pp. 1
- Debbert, S.L.¹ Cramer, C.J.²

86
- 0035819642
- (2001) J Am Chem Soc , vol.123 , pp. 923
- Johnson, W.T.G.¹ Cramer, C.J.²

87
- 0032065461
- (1998) Chem Phys Lett , vol.287 , pp. 320
- Cramer, C.J.¹ Debbert, S.²

88
- 0042282066
- (1999) J Chem Soc Perkin Trans , vol.2 , pp. 2273
- Cramer, C.J.¹

89
- 0000757043
- (1994) J Am Chem Soc , vol.116 , pp. 9787
- Cramer, C.J.¹ Dulles, F.J.² Falvey, D.E.³

90
- 0034553421
- (2000) J Org Chem , vol.65 , pp. 8348
- Geise, C.M.¹ Hadad, C.M.²

91
- 0001697665
- (1996) J Org Chem , vol.61 , pp. 7022
- Wong, M.W.¹ Wentrup, C.²

92
- 0000827672
- (1996) J Org Chem , vol.61 , pp. 7030
- Schreiner, P.R.¹ Karney, W.L.² Schleyer, P.V.R.³ Borden, W.T.⁴ Hamilton, T.P.⁵ Schaefer III, H.F.⁶

93
- 0001181885
- (1997) J Org Chem , vol.62 , pp. 4398
- Patterson, E.V.¹ McMahon, R.J.²

94
- 0031550860
- (1997) Tetrahedron Lett , vol.38 , pp. 1515
- Cramer, C.J.¹ Falvey, D.E.²

95
- 0006751676
- (1990) J Photochem Photobiol A Chem , vol.53 , pp. 223
- Miura, A.¹ Kobayashi, T.²

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