SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 121, Issue 5, 1999, Pages 895-902

Mapping the potential energy surfaces of the 1,6-diphenyl-1,3,5- hexatriene ground and triplet states

(3) Saltiel, Jack a Crowder, Janell M a Wang, Shujun a

a FLORIDA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1,6 DIPHENYL 1,3,5 HEXATRIENE;

ARTICLE; ELECTRICITY; EQUILIBRIUM CONSTANT; ISOMERISM; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; STEREOISOMERISM;

EID: 0033540666 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja982551j Document Type: Article

Times cited : (22)

References (53)

1
- 0003056705
- For reviews see: (a) Saltiel, J.; D'Agostino, J.; Megarity, E. D.; Metts, L.; Neuberger, K. R.; Wrighton, M.; Zafiriou, O. C. Org. Photochem. 1973, 3, 1-113. (b) Saltiel, J.; Charlton, J. L. Rearrangements in Ground and Excited States; de Mayo, P., Ed.; Academic Press: New York, 1980; Vol. 3, pp 25-89. (c) Görner, H.; Kuhn, H. J. Adv. Photochem. 1995, 19, 1-118.
- (1973) Org. Photochem. , vol.3 , pp. 1-113
- Saltiel, J.¹ D'Agostino, J.² Megarity, E.D.³ Metts, L.⁴ Neuberger, K.R.⁵ Wrighton, M.⁶ Zafiriou, O.C.⁷

2
- 0003033156
- de Mayo, P., Ed.; Academic Press: New York
- For reviews see: (a) Saltiel, J.; D'Agostino, J.; Megarity, E. D.; Metts, L.; Neuberger, K. R.; Wrighton, M.; Zafiriou, O. C. Org. Photochem. 1973, 3, 1-113. (b) Saltiel, J.; Charlton, J. L. Rearrangements in Ground and Excited States; de Mayo, P., Ed.; Academic Press: New York, 1980; Vol. 3, pp 25-89. (c) Görner, H.; Kuhn, H. J. Adv. Photochem. 1995, 19, 1-118.
- (1980) Rearrangements in Ground and Excited States , vol.3 , pp. 25-89
- Saltiel, J.¹ Charlton, J.L.²

3
- 0001862310
- For reviews see: (a) Saltiel, J.; D'Agostino, J.; Megarity, E. D.; Metts, L.; Neuberger, K. R.; Wrighton, M.; Zafiriou, O. C. Org. Photochem. 1973, 3, 1-113. (b) Saltiel, J.; Charlton, J. L. Rearrangements in Ground and Excited States; de Mayo, P., Ed.; Academic Press: New York, 1980; Vol. 3, pp 25-89. (c) Görner, H.; Kuhn, H. J. Adv. Photochem. 1995, 19, 1-118.
- (1995) Adv. Photochem. , vol.19 , pp. 1-118
- Görner, H.¹ Kuhn, H.J.²

4
- 4143061335
- For reviews see: (a) Arai, T.; Tokumaru, K. Chem. Rev. 1993, 93, 23-39. (b) Tokumaru, K.; Arai, T. Bull. Chem. Soc. Jpn. 1995, 68, 1065-1087.
- (1993) Chem. Rev. , vol.93 , pp. 23-39
- Arai, T.¹ Tokumaru, K.²

5
- 4143061335
- For reviews see: (a) Arai, T.; Tokumaru, K. Chem. Rev. 1993, 93, 23-39. (b) Tokumaru, K.; Arai, T. Bull. Chem. Soc. Jpn. 1995, 68, 1065-1087.
- (1995) Bull. Chem. Soc. Jpn. , vol.68 , pp. 1065-1087
- Tokumaru, K.¹ Arai, T.²

6
- 0001278014
- Saltiel, J.; Wang, S.; Ko, D.-H.; Gormin, D. A. J. Phys. Chem. A 1998, 102, 5383-5392.
- (1998) J. Phys. Chem. A , vol.102 , pp. 5383-5392
- Saltiel, J.¹ Wang, S.² Ko, D.-H.³ Gormin, D.A.⁴

7
- 0000156622
- (a) Caldwell, R. A.; Gajewski, R. P. J. Am. Chem. Soc. 1971, 93, 532-534.
- (1971) J. Am. Chem. Soc. , vol.93 , pp. 532-534
- Caldwell, R.A.¹ Gajewski, R.P.²

8
- 0038651433
- (b) Valentine, D., Jr.; Hammond, G. S. J. Am. Chem. Soc. 1972, 94, 3449-3454.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 3449-3454
- Valentine D., Jr.¹ Hammond, G.S.²

9
- 0006075156
- Lamola, A. A.; Hammond, G. S. J. Chem. Phys. 1965, 43, 2129-2135.
- (1965) J. Chem. Phys. , vol.43 , pp. 2129-2135
- Lamola, A.A.¹ Hammond, G.S.²

10
- 0004059405
- Elsevier: New York
- The equation is based on 17 selected density values in the 0-80°C range compiled in: Timmermans, J. Physico-Chemical Constants of Pure Organic Compounds; Elsevier: New York, 1950; Elsevier: New York, 1965; Vol. 2.
- (1950) Physico-Chemical Constants of Pure Organic Compounds
- Timmermans, J.¹

11
- 0004059405
- Elsevier: New York
- The equation is based on 17 selected density values in the 0-80°C range compiled in: Timmermans, J. Physico-Chemical Constants of Pure Organic Compounds; Elsevier: New York, 1950; Elsevier: New York, 1965; Vol. 2.
- (1965) Physico-Chemical Constants of Pure Organic Compounds , pp. 2

12
- 0001603130
- Lunde, K.; Zechmeister, L. J. Am. Chem. Soc. 1954, 76, 2308-2313.
- (1954) J. Am. Chem. Soc. , vol.76 , pp. 2308-2313
- Lunde, K.¹ Zechmeister, L.²

13
- 33751041230
- Saltiel, J.; Ganapathy, S.; Werking, C. J. Phys. Chem. 1987, 91, 2755-2758.
- (1987) J. Phys. Chem. , vol.91 , pp. 2755-2758
- Saltiel, J.¹ Ganapathy, S.² Werking, C.³

14
- 0001405234
- Eliel, E. L.; Engelsman, J. J. J. Chem. Educ. 1996, 73, 903-905.
- (1996) J. Chem. Educ. , vol.73 , pp. 903-905
- Eliel, E.L.¹ Engelsman, J.J.²

15
- 0039659623
- Ushakov, E. N.; Lednev, I. K.; Alfimov, M. V. Dokl. Acad. Nauk. SSR 1990, 313, 903.
- (1990) Dokl. Acad. Nauk. SSR , vol.313 , pp. 903
- Ushakov, E.N.¹ Lednev, I.K.² Alfimov, M.V.³

16
- 0000165534
- Lewis, F. D.; Yoon, B. A.; Arai, T.; Iwasaki, T.; Tokumaru, K. J. Am. Chem. Soc. 1995, 117, 3029-3036.
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 3029-3036
- Lewis, F.D.¹ Yoon, B.A.² Arai, T.³ Iwasaki, T.⁴ Tokumaru, K.⁵

17
- 0344919729
- Unpublished results
- Wharton, J. T.; Wang, S.; Saltiel, J. Unpublished results.
- Wharton, J.T.¹ Wang, S.² Saltiel, J.³

18
- 0001760951
- Saltiel, J.; Sears, D. F., Jr.; Sun, Y.-P.; Choi, J.-O. J. Am. Chem. Soc. 1992, 114, 3607-3612.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 3607-3612
- Saltiel, J.¹ Sears D.F., Jr.² Sun, Y.-P.³ Choi, J.-O.⁴

19
- 49049137504
- Görner, H. J. Photochem. 1982, 19, 343-356.
- (1982) J. Photochem. , vol.19 , pp. 343-356
- Görner, H.¹

20
- 0001428389
- Chattopadhyay, S. K.; Das, P. K.; Hug, G. L. J. Am. Chem. Soc. 1982, 104, 4507-4514.
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 4507-4514
- Chattopadhyay, S.K.¹ Das, P.K.² Hug, G.L.³

21
- 33646886959
- Hammond, G. S.; Saltiel, J.; Lamola, A. A.; Turro, N. J.; Bradshaw, J. S.; Cowan, D. O.; Vogt, V.; Dalton, C. J. Am. Chem. Soc. 1964, 86, 3197-3217.
- (1964) J. Am. Chem. Soc. , vol.86 , pp. 3197-3217
- Hammond, G.S.¹ Saltiel, J.² Lamola, A.A.³ Turro, N.J.⁴ Bradshaw, J.S.⁵ Cowan, D.O.⁶ Vogt, V.⁷ Dalton, C.⁸

22
- 33845182889
- Ni, T.; Caldwell, R. A.; Melton, L. A. J. Am. Chem. Soc. 1989, 111, 457-464.
- (1989) J. Am. Chem. Soc. , vol.111 , pp. 457-464
- Ni, T.¹ Caldwell, R.A.² Melton, L.A.³

23
- 0000437135
- Saltiel, J.; Rousseau, A. D.; Sykes, A. J. Am. Chem. Soc. 1972, 94, 5903-5905.
- (1972) J. Am. Chem. Soc. , vol.94 , pp. 5903-5905
- Saltiel, J.¹ Rousseau, A.D.² Sykes, A.³

24
- 0000614195
- Unett, D. J.; Caldwell, R. A. Res. Chem. Intermed. 1995, 21, 665-709.
- (1995) Res. Chem. Intermed. , vol.21 , pp. 665-709
- Unett, D.J.¹ Caldwell, R.A.²

25
- 4243159719
- Heinrich, G.; Holzer, G.; Blume, H.; Schulte-Frohlinde, D. Z. Naturforsch. 1970, 25b, 496.
- (1970) Z. Naturforsch. , vol.25 B , pp. 496
- Heinrich, G.¹ Holzer, G.² Blume, H.³ Schulte-Frohlinde, D.⁴

26
- 37049132342
- Evans, D. F.; Tucker, J. N. J. Chem. Soc., Faraday Trans. 2 1972, 68, 174.
- (1972) J. Chem. Soc., Faraday Trans. 2 , vol.68 , pp. 174
- Evans, D.F.¹ Tucker, J.N.²

27
- 0039067529
- (a) Ramamurthy, V.; Caspar, J. V.; Corbin, D. R.; Schyler, B. D.; Maki, A. H. J. Phys. Chem. 1990, 94, 3191-3193.
- (1990) J. Phys. Chem. , vol.94 , pp. 3191-3193
- Ramamurthy, V.¹ Caspar, J.V.² Corbin, D.R.³ Schyler, B.D.⁴ Maki, A.H.⁵

28
- 0001544304
- (b) Ramamurthy, V.; Caspar, J. V.; Eaton, D. F.; Kuo, E. W.; Corbin, D. R. J. Am. Chem. Soc. 1992, 114, 3882-3892.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 3882-3892
- Ramamurthy, V.¹ Caspar, J.V.² Eaton, D.F.³ Kuo, E.W.⁴ Corbin, D.R.⁵

29
- 0025887131
- (a) Doering, W. von E.; Kitagawa, T. J. Am. Chem. Soc. 1991, 113, 4288-4297.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4288-4297
- Von Doering, W.E.¹ Kitagawa, T.²

30
- 0000201335
- (b) Doering, W. von E.; Birladeanu, L.; Cheng, X-h.; Kitagawa, T.; Sarma, K. J. Am. Chem. Soc. 1991, 113, 4558-4563.
- (1991) J. Am. Chem. Soc. , vol.113 , pp. 4558-4563
- Von Doering, W.E.¹ Birladeanu, L.² Cheng, X.-H.³ Kitagawa, T.⁴ Sarma, K.⁵

31
- 0000223331
- (c) Doering, W. von E.; Sarma, K. J. Am. Chem. Soc. 1992, 114, 6037-6043.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 6037-6043
- Von Doering, W.E.¹ Sarma, K.²

32
- 0001228895
- (d) Doering, W. von E.; Shi, Y.-q.; Zhao, D.-c. J. Am. Chem. Soc. 1992, 114, 10763-10766.
- (1992) J. Am. Chem. Soc. , vol.114 , pp. 10763-10766
- Von Doering, W.E.¹ Shi, Y.-Q.² Zhao, D.-C.³

33
- 0040845840
- Verlag Chemie: Weinheim
- Heilbronner, E.; Bock, H. Das HMO-Modell und seine Anwendung: Verlag Chemie: Weinheim, 1970; Vol. 3, pp 16-42.
- (1970) Das HMO-Modell und Seine Anwendung , vol.3 , pp. 16-42
- Heilbronner, E.¹ Bock, H.²

34
- 33947481199
- (a) Dewar, M. J. S.; Gleicher, G. J. J. Am. Chem. Soc. 1965, 87, 685-692.
- (1965) J. Am. Chem. Soc. , vol.87 , pp. 685-692
- Dewar, M.J.S.¹ Gleicher, G.J.²

35
- 33947299900
- (b) Dewar, M. J. S.; de Liano, C. J. Am. Chem. Soc. 1969, 91, 789-802.
- (1969) J. Am. Chem. Soc. , vol.91 , pp. 789-802
- Dewar, M.J.S.¹ De Liano, C.²

36
- 0001357725
- (a) Hess, B. A., Jr.; Schaad, L. V. Pure Appl. Chem. 1980, 52, 1471-1494.
- (1980) Pure Appl. Chem. , vol.52 , pp. 1471-1494
- Hess B.A., Jr.¹ Schaad, L.V.²

37
- 0020891684
- (b) Hess, B. A., Jr.; Schaad, L. J. J. Am. Chem. Soc. 1983, 105, 7500-7505.
- (1983) J. Am. Chem. Soc. , vol.105 , pp. 7500-7505
- Hess B.A., Jr.¹ Schaad, L.J.²

38
- 0001260843
- Kistiakowsky, G. B.; Ruhoff, J. R.; Smith, H. A.; Vaughan, W. E. J. Am. Chem. Soc. 1936, 58, 146-153.
- (1936) J. Am. Chem. Soc. , vol.58 , pp. 146-153
- Kistiakowsky, G.B.¹ Ruhoff, J.R.² Smith, H.A.³ Vaughan, W.E.⁴

39
- 0003780688
- Chapman and Hall: London
- Pedley, J. B.; Naylor, R. D.; Kirby, S. P. Thermochemical Data of Organic Compounds, 2nd ed.; Chapman and Hall: London, 1986.
- (1986) Thermochemical Data of Organic Compounds, 2nd Ed.
- Pedley, J.B.¹ Naylor, R.D.² Kirby, S.P.³

40
- 0001087097
- Turner, R. B.; Mallon, B. H.; Tichy, M.; Doering, W. von E.; Roth, W. R.; Schröder, G. J. Am. Chem. Soc. 1973, 95, 8605-8610.
- (1973) J. Am. Chem. Soc. , vol.95 , pp. 8605-8610
- Turner, R.B.¹ Mallon, B.H.² Tichy, M.³ Von Doering, W.E.⁴ Roth, W.R.⁵ Schröder, G.⁶

41
- 84941781164
- Doering, W. von. E.; Roth, W. R.; Bauer, F.; Boenke, M.; Breuckmann, R.; Ruhkamp, J.; Wortmann, O. Chem. Ber. 1991, 124, 1461-1470.
- (1991) Chem. Ber. , vol.124 , pp. 1461-1470
- Doering, W.Von.E.¹ Roth, W.R.² Bauer, F.³ Boenke, M.⁴ Breuckmann, R.⁵ Ruhkamp, J.⁶ Wortmann, O.⁷

42
- 0000610478
- Williams, R. B. J. Am. Chem. Soc. 1942, 64, 1395-1404.
- (1942) J. Am. Chem. Soc. , vol.64 , pp. 1395-1404
- Williams, R.B.¹

43
- 0004238394
- Wiley: New York
- Wheland, G. W. Resonance in Organic Chemistry: Wiley: New York, 1955; p 80.
- (1955) Resonance in Organic Chemistry , pp. 80
- Wheland, G.W.¹

44
- 0000114670
- Lhost, O.; Brédas, J. L. J. Chem. Phys. 1992, 96, 5279-5288.
- (1992) J. Chem. Phys. , vol.96 , pp. 5279-5288
- Lhost, O.¹ Brédas, J.L.²

45
- 0041689437
- Berkowitz, J.; Ellison, G. B.; Gutman, D. J. Phys. Chem. 1994, 98, 2744-2765.
- (1994) J. Phys. Chem. , vol.98 , pp. 2744-2765
- Berkowitz, J.¹ Ellison, G.B.² Gutman, D.³

46
- 0003456933
- Wiley: New York
- Streitwieser, A., Jr. Molecular Orbital Theory for Organic Chemists, Wiley: New York, 1961; pp 46, 393, and 396.
- (1961) Molecular Orbital Theory for Organic Chemists , pp. 46
- Streitwieser A., Jr.¹

47
- 84984336397
- Doering, W. von E.; Roth, W. R.; Bauer, F.; Breuckmann, R.; Ebrecht, T.; Herbold, M.; Schmidt, R.; Lennartz, H.-W.; Lenoir, D.; Boese, R. Chem. Ber. 1989, 122, 1263-1275.
- (1989) Chem. Ber. , vol.122 , pp. 1263-1275
- Von Doering, W.E.¹ Roth, W.R.² Bauer, F.³ Breuckmann, R.⁴ Ebrecht, T.⁵ Herbold, M.⁶ Schmidt, R.⁷ Lennartz, H.-W.⁸ Lenoir, D.⁹ Boese, R.¹⁰

48
- 0000004212
- Kistiakowsky, G. B.; Smith, W. R. J. Am. Chem. Soc. 1934, 56, 638.
- (1934) J. Am. Chem. Soc. , vol.56 , pp. 638
- Kistiakowsky, G.B.¹ Smith, W.R.²

49
- 0000675315
- Santoro, A. V.; Barrett, E. J.; Hoyer, H. H. J. Am. Chem. Soc. 1967, 89, 4545-4546.
- (1967) J. Am. Chem. Soc. , vol.89 , pp. 4545-4546
- Santoro, A.V.¹ Barrett, E.J.² Hoyer, H.H.³

50
- 0000869894
- Schmiegel, W. W.; Litt, F. A.; Cowan, D. O. J. Org. Chem. 1968, 33, 3334.
- (1968) J. Org. Chem. , vol.33 , pp. 3334
- Schmiegel, W.W.¹ Litt, F.A.² Cowan, D.O.³

51
- 0344919725
- note
- 40 is in good agreement with the calorimetric value.

52
- 0037970472
- Saltiel, J.; Marchand, G. R.; Kirkor-Kaminska, E.; Smothers, W. K.; Mueller, W. B.; Charlton, J. L. J. Am. Chem. Soc. 1984, 106, 3144-3151.
- (1984) J. Am. Chem. Soc. , vol.106 , pp. 3144-3151
- Saltiel, J.¹ Marchand, G.R.² Kirkor-Kaminska, E.³ Smothers, W.K.⁴ Mueller, W.B.⁵ Charlton, J.L.⁶

53
- 0000457042
- Saltiel, J.; Townsend, D. E.; Sykes, A. J. Am. Chem. Soc. 1973, 95, 5968-5973.
- (1973) J. Am. Chem. Soc. , vol.95 , pp. 5968-5973
- Saltiel, J.¹ Townsend, D.E.² Sykes, A.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.