-
2
-
-
0012655895
-
-
(a) Priyadarshy, S.; Risser, S. M.; Beratan, D. N. J. Phys. Chem. A 1996, 100, 17678-17682.
-
(1996)
J. Phys. Chem. a
, vol.100
, pp. 17678-17682
-
-
Priyadarshy, S.1
Risser, S.M.2
Beratan, D.N.3
-
3
-
-
0030994854
-
-
(b) Beratan, D. N.; Priyadarshy, S.; Risser, S. M. Chem. Biol. 1997, 4, 3-8.
-
(1997)
Chem. Biol.
, vol.4
, pp. 3-8
-
-
Beratan, D.N.1
Priyadarshy, S.2
Risser, S.M.3
-
4
-
-
0032717327
-
-
Bixon, M.; Giese, B.; Wessely, S.; Langenbacher, T.; Michel-Beyerle, M. E.; Jortner, J. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 11713-11716.
-
(1999)
Proc. Natl. Acad. Sci. U.S.A.
, vol.96
, pp. 11713-11716
-
-
Bixon, M.1
Giese, B.2
Wessely, S.3
Langenbacher, T.4
Michel-Beyerle, M.E.5
Jortner, J.6
-
5
-
-
0030820847
-
-
(a) Lewis, F. D.; Wu, T. F.; Zhang, Y. F.; Letsinger, R. L.; Greenfield, S. R.; Wasielewski, M. R. Science 1997, 277, 673-676.
-
(1997)
Science
, vol.277
, pp. 673-676
-
-
Lewis, F.D.1
Wu, T.F.2
Zhang, Y.F.3
Letsinger, R.L.4
Greenfield, S.R.5
Wasielewski, M.R.6
-
6
-
-
0031906759
-
-
(b) Fukui, K.; Tanaka, K. Angew. Chem., Int. Ed. Engl. 1998, 37, 158-161.
-
(1998)
Angew. Chem., Int. Ed. Engl.
, vol.37
, pp. 158-161
-
-
Fukui, K.1
Tanaka, K.2
-
8
-
-
0033065078
-
-
Wan, C. Z.; Fiebig, T.; Kelley, S. O., Treadway, C. R.; Barton, J. K.; Zewail A. H. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 6014-6019.
-
(1999)
Proc. Natl. Acad. Sci. U.S.A.
, vol.96
, pp. 6014-6019
-
-
Wan, C.Z.1
Fiebig, T.2
Kelley, S.O.3
Treadway, C.R.4
Barton, J.K.5
Zewail, A.H.6
-
9
-
-
0027769742
-
-
(e) Murphy, C. J.; Arkin, M. R.; Jenkins, Y.; Ghatlia, N. D.; Bossmann, S. H.; Turro, N. J.; Barton, J. K. Science 1993,262, 1025-1029.
-
(1993)
Science
, vol.262
, pp. 1025-1029
-
-
Murphy, C.J.1
Arkin, M.R.2
Jenkins, Y.3
Ghatlia, N.D.4
Bossmann, S.H.5
Turro, N.J.6
Barton, J.K.7
-
10
-
-
0029104810
-
-
(f) Meade, T. J.; Kayyem, J. F. Angew. Chem., Int. Ed. Engl. 1995, 34, 352-354.
-
(1995)
Angew. Chem., Int. Ed. Engl.
, vol.34
, pp. 352-354
-
-
Meade, T.J.1
Kayyem, J.F.2
-
11
-
-
33645936051
-
-
(g) Meade, T. J. In Metal Ions in Biological Systems; Sigel, H., Sigel, A., Eds.; Marcel Dekker: New York, 1995; Vol. 32, Chapter 13.
-
(1995)
Metal Ions in Biological Systems; Sigel, H., Sigel, A., Eds.; Marcel Dekker: New York
, vol.32
, pp. 13
-
-
In, M.T.J.1
-
12
-
-
0033119286
-
-
(h) Giese B.; Wessely S.; Spormann M.; Lindemann U.; Meggers E.; Michel-Beyerle M. E. Augew. Chem., Int. Ed. Engl. 1999, 38, 996-998.
-
(1999)
Augew. Chem., Int. Ed. Engl.
, vol.38
, pp. 996-998
-
-
Giese, B.1
Wessely, S.2
Spormann, M.3
Lindemann, U.4
Meggers, E.5
Michel-Beyerle, M.E.6
-
13
-
-
0032539233
-
-
Meggers, E., Michel-Beyerle, M. E., Giese, B. J. Am. Chem. Soc. 1998,120, 12950-12955.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 12950-12955
-
-
Meggers, E.1
Michel-Beyerle, M.E.2
Giese, B.3
-
14
-
-
0032473446
-
-
(f) Meggers E.; Kusch D.; Spichty M.; Wille U.; Giese B. Angeu: Chem., Int. Ed. Engl. 1998, 37, 460-462.
-
(1998)
Angeu: Chem., Int. Ed. Engl.
, vol.37
, pp. 460-462
-
-
Meggers, E.1
Kusch, D.2
Spichty, M.3
Wille, U.4
Giese, B.5
-
15
-
-
0033587765
-
-
(k) Henderson, P. T.; Jones, D.; Hampikian G.; Kan, Y. Z.; Schuster, G. B. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 8353-8358.
-
(1999)
Proc. Natl. Acad. Sci. U.S.A.
, vol.96
, pp. 8353-8358
-
-
Henderson, P.T.1
Jones, D.2
Hampikian, G.3
Kan, Y.Z.4
Schuster, G.B.5
-
16
-
-
0032001556
-
-
(a) Okada, A.; Chernyak, V.; Mukamel, S. J. Phys. Chem. A 1998, 102, 1241-1251.
-
(1998)
J. Phys. Chem. a
, vol.102
, pp. 1241-1251
-
-
Okada, A.1
Chernyak, V.2
Mukamel, S.3
-
17
-
-
0029632752
-
-
(b) Felts, A. K.; Pollard, W. T.; Friesner, R. A. J. Phys. Chem. 1995, 99 (9), 2929-2940.
-
(1995)
J. Phys. Chem.
, vol.99
, Issue.9
, pp. 2929-2940
-
-
Felts, A.K.1
Pollard, W.T.2
Friesner, R.A.3
-
19
-
-
0033545293
-
-
Ratner, M. Nature 1999, 397, 480-481.
-
(1999)
Nature
, vol.397
, pp. 480-481
-
-
Ratner, M.1
-
20
-
-
0032560963
-
-
Holmlin, R. E.; Tong, R. T.; Barton, J. K. J. Am. Chem. Soc. 1998, 120, 9724-9725.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 9724-9725
-
-
Holmlin, R.E.1
Tong, R.T.2
Barton, J.K.3
-
21
-
-
85037453621
-
-
(7) In the case of 1(n), n refers to the number of benzene rings forming the bridge.
-
, vol.7
, pp. 1
-
-
-
22
-
-
0025325136
-
-
(a) Paddon-Row, M. N.; Wong, S. S.; Jordan, K. D. J. Am. Chem.. Soc. 1990, 112, 1710-1722.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 1710-1722
-
-
Paddon-Row, M.N.1
Wong, S.S.2
Jordan, K.D.3
-
25
-
-
0003396304
-
-
Jordan, K. D.; Paddon-Row, M. N. Electronic Coupling Through Saturated Bridges: Encyclopedia of Computational Chemistry; Schleyer, P. v. R., Ed.; Wiley: New York, 1998; pp 826-835.
-
(1998)
Electronic Coupling through Saturated Bridges: Encyclopedia of Computational Chemistry; Schleyer, P. V. R., Ed.; Wiley: New York
, pp. 826-835
-
-
Jordan, K.D.1
Paddon-Row, M.N.2
-
29
-
-
33751385422
-
-
Naleway, C. A.; Curtiss, L. A.; Miller, J. R. J. Phys. Chem. 1993, 97, 4050-4058.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 4050-4058
-
-
Naleway, C.A.1
Curtiss, L.A.2
Miller, J.R.3
-
30
-
-
21144483989
-
-
Curtiss, L. A.; Naleway, C. A.; Miller, J. R. Chem. Phys. 1993, 776, 387-405.
-
(1993)
Chem. Phys.
, vol.776
, pp. 387-405
-
-
Curtiss, L.A.1
Naleway, C.A.2
Miller, J.R.3
-
31
-
-
0000353435
-
-
(a) Paddon-Row, M. N.; Jordan, K. D. Modem Models of Bonding and Delocalization; Liebman, J. F., Greenberg, A., Eds.; VCH Publishers: New York, 1988; Vol. 6, pp 115-194.
-
(1988)
Modem Models of Bonding and Delocalization; Liebman, J. F., Greenberg, A., Eds.; VCH Publishers: New York
, vol.6
, pp. 115-194
-
-
Paddon-Row, M.N.1
Jordan, K.D.2
-
33
-
-
0000521273
-
-
Shephard, M. J.; Paddon-Row, M. N.; Jordan, K. D. J. Am. Chem. Soc. 1994, 116, 5328-5333.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 5328-5333
-
-
Shephard, M.J.1
Paddon-Row, M.N.2
Jordan, K.D.3
-
35
-
-
2442617487
-
-
Binkley, J. S.; Pople, J. A.; Hehre, W. J. J. Am. Chem. Soc. 1980, 102, 939-947.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939-947
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
36
-
-
85037481740
-
-
The effect that other types of distortions may have on the coupling in 1(n), such as the combined translational/rotational twisting that would result in a helical structure, were not examined because the computational methods used require that the two TCNE units be related by symmetry.
-
The effect that other types of distortions may have on the coupling in 1(n), such as the combined translational/rotational twisting that would result in a helical structure, were not examined because the computational methods used require that the two TCNE units be related by symmetry.
-
-
-
-
37
-
-
85037450540
-
-
2 symmetry
-
2 symmetry.
-
-
-
-
38
-
-
84871008794
-
-
Gaussian Inc.: Pittsbugh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; HeadGordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94; Gaussian Inc.: Pittsbugh, PA, 1995.
-
(1995)
Gaussian 94
-
-
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
Headgordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
41
-
-
0000421196
-
-
Priyadarshy, S.; Skourtis, S. S.; Risser, S. M.; Beratan, D. N. J. Chem. Phys. 1996, 105, 9561-9573.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 9561-9573
-
-
Priyadarshy, S.1
Skourtis, S.S.2
Risser, S.M.3
Beratan, D.N.4
-
45
-
-
21344486574
-
-
Marvaud, V.; Launay, J. P.; Joachim, C. Chem. Phys. 1993, 177, 23-30.
-
(1993)
Chem. Phys.
, vol.177
, pp. 23-30
-
-
Marvaud, V.1
Launay, J.P.2
Joachim, C.3
-
48
-
-
21144482908
-
-
(f) Shephard, M. J.; Paddon-Row, M. N.; Jordan, K. D. Chem. Phys. 1993, 176, 289-304.
-
(1993)
Chem. Phys.
, vol.176
, pp. 289-304
-
-
Shephard, M.J.1
Paddon-Row, M.N.2
Jordan, K.D.3
-
49
-
-
0000672761
-
-
(g) Cheng, J.; Sàghi-Szabó, G.; Tossell, J. A.; Miller, C. J. J. Am. Chem. Soc. 1996, 118, 680-684.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 680-684
-
-
Cheng, J.1
Sàghi-Szabó, G.2
Tossell, J.A.3
Miller, C.J.4
-
50
-
-
85037457700
-
-
h, is derived from splitting energies, ΔE(π), involving filled π orbitals and hence is related to a hole transfer process.
-
h, is derived from splitting energies, ΔE(π), involving filled π orbitals and hence is related to a hole transfer process.
-
-
-
-
52
-
-
0013420089
-
-
Paddon-Row, M. N.; Shephard, M. J.; Jordan, K. D. J. Am. Chem. Soc. 1993, 115, 3312-3313.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 3312-3313
-
-
Paddon-Row, M.N.1
Shephard, M.J.2
Jordan, K.D.3
-
53
-
-
85037459570
-
-
The HOMO energies of the one-benzene and two-benzene π-stacks are, respectively, -9.22 and -8.38 eV, and the LUMO energies are 4.12 and 3.79 eV, respectively.
-
The HOMO energies of the one-benzene and two-benzene π-stacks are, respectively, -9.22 and -8.38 eV, and the LUMO energies are 4.12 and 3.79 eV, respectively.
-
-
-
-
56
-
-
33947328248
-
-
Hoffmann,.R.; Imamura, A.; Hehre, W. J. J. Am. Chem. Soc. 1968, 90, 1499-1509.
-
(1968)
J. Am. Chem. Soc.
, vol.90
, pp. 1499-1509
-
-
Hoffmann, R.1
Imamura, A.2
Hehre, W.J.3
-
58
-
-
1542617895
-
-
(a) Helms, A.; Heiler, D.; McLendon, G. J. Am. Chem. Soc. 1991, 113, 4325-4327.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 4325-4327
-
-
Helms, A.1
Heiler, D.2
McLendon, G.3
-
59
-
-
2742545120
-
-
(b) Helms, A.; Heiler, D.; McLendon, G. J. Am. Chem. Soc. 1992, 114, 6227-6238.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 6227-6238
-
-
Helms, A.1
Heiler, D.2
McLendon, G.3
-
60
-
-
37049067339
-
-
(a) Breidenbach, S.; Ohren, S.; Nieger, M.; Vogtle, F. J. Chem. Soc., Chem. Commun. 1995, 1237-1238.
-
(1995)
J. Chem. Soc., Chem. Commun.
, pp. 1237-1238
-
-
Breidenbach, S.1
Ohren, S.2
Nieger, M.3
Vogtle, F.4
-
61
-
-
0001012841
-
-
(b) Breidenbach, S.; Ohren, S.; Vogtle, F. Chem. Eur. J. 1996, 2, 832-837.
-
(1996)
Chem. Eur. J.
, vol.2
, pp. 832-837
-
-
Breidenbach, S.1
Ohren, S.2
Vogtle, F.3
-
62
-
-
0343228585
-
-
Breidenbach, S.; Ohren, S.; Herbstirmer, R.; Kotila, S.; Nieger, M.; Vogtle, F. Liebigs Ann. Chem. 1996, 2115-2121.
-
(1996)
Liebigs Ann. Chem.
, pp. 2115-2121
-
-
Breidenbach, S.1
Ohren, S.2
Herbstirmer, R.3
Kotila, S.4
Nieger, M.5
Vogtle, F.6
-
63
-
-
0345291174
-
-
Boomgaarden, W.; Vogtle, F.; Nieger, M.; Hupfer, H. Chem. Eur. J. 1999, 5, 345-355.
-
(1999)
Chem. Eur. J.
, vol.5
, pp. 345-355
-
-
Boomgaarden, W.1
Vogtle, F.2
Nieger, M.3
Hupfer, H.4
-
64
-
-
85037470244
-
-
Private communication
-
(e) Therien, M. J. Private communication, 1999.
-
(1999)
-
-
Therien, M.J.1
|