-
1
-
-
0001142932
-
-
Borden, W. T.; Iwamura, H.; Berson, J. A. Acc. Chem. Res. 1994, 27, 109.
-
(1994)
Acc. Chem. Res.
, vol.27
, pp. 109
-
-
Borden, W.T.1
Iwamura, H.2
Berson, J.A.3
-
3
-
-
0031592440
-
-
Komaguchi, K.; Shiotani, M.; Lund, A. Chem. Phys. Lett. 1997, 265, 217.
-
(1997)
Chem. Phys. Lett.
, vol.265
, pp. 217
-
-
Komaguchi, K.1
Shiotani, M.2
Lund, A.3
-
4
-
-
13644257983
-
-
Lund, A., Shiotani, M., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands
-
Shiotani, M.; Komaguchi, K. In EPR of Free Radicals in Solids; Lund, A., Shiotani, M., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 2003; p 175.
-
(2003)
EPR of Free Radicals in Solids
, pp. 175
-
-
Shiotani, M.1
Komaguchi, K.2
-
5
-
-
13644258590
-
-
Ph.D. Dissertation, University of Basel, Switzerland
-
Schmidlin, R., Ph.D. Dissertation, University of Basel, Switzerland, 1995.
-
(1995)
-
-
Schmidlin, R.1
-
6
-
-
3242704492
-
-
Wiley-VCH: Weinheim, Germany, (a) Figure 4.9, (b) p 216, (c) Table 8.2
-
Gerson, F.; Huber, W. Electron Spin Resonance Spectroscopy of Organic Radicals; Wiley-VCH: Weinheim, Germany, 2003; (a) Figure 4.9, (b) p 216, (c) Table 8.2.
-
(2003)
Electron Spin Resonance Spectroscopy of Organic Radicals
-
-
Gerson, F.1
Huber, W.2
-
8
-
-
0009535872
-
-
Wiberg, K. B.; Ellison, G. B.; Wendoloski, J. J.; Brundle, C. R.; Kuebler, N. A. J. Am. Chem. Soc. 1976, 98, 7179.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 7179
-
-
Wiberg, K.B.1
Ellison, G.B.2
Wendoloski, J.J.3
Brundle, C.R.4
Kuebler, N.A.5
-
9
-
-
84947534891
-
-
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J. P. Helv. Chim. Acta 1977, 60, 2213.
-
(1977)
Helv. Chim. Acta
, vol.60
, pp. 2213
-
-
Bieri, G.1
Burger, F.2
Heilbronner, E.3
Maier, J.P.4
-
10
-
-
84918692327
-
-
Kindermann, M. K.; Poppek, R.; Rademacher, P.; Fuss, A.; Quast, H. Chem. Ber. 1990, 123, 1161.
-
(1990)
Chem. Ber.
, vol.123
, pp. 1161
-
-
Kindermann, M.K.1
Poppek, R.2
Rademacher, P.3
Fuss, A.4
Quast, H.5
-
12
-
-
13644265079
-
-
note
-
•+ at 150 K, although full rotation may be somewhat hindered due to the steric congestion by the endo groups (see the Calculations and Discussion).
-
-
-
-
14
-
-
13644258589
-
-
note
-
H| values for protons in one structure thus goes along with a decrease (increase) in the values for the corresponding protons in the other structure.
-
-
-
-
15
-
-
13644258587
-
-
note
-
1 relative to the other two ionic states of TMM.
-
-
-
-
16
-
-
13644268854
-
-
note
-
•+ at 4 K. However, the excess energy with which this state is initially endowed apparently suffices to surmount this barrier.
-
-
-
-
17
-
-
13644268855
-
-
note
-
•+ is so flat that the system undergoes almost unhindered pseudorotation along the bottom of a "Mexican hat"-type JT potential.
-
-
-
-
18
-
-
13644257984
-
-
University of Essen, personal communication
-
P. Rademacher, University of Essen, personal communication (the photoelectron spectrum is shown in the Supporting Information).
-
-
-
Rademacher, P.1
-
20
-
-
13644254065
-
-
note
-
By "electromers" we denote distinct isomers which have the same atom connectivities and very similar geometries but different electronic structures.
-
-
-
-
21
-
-
16744366259
-
-
Müller, B.; Bally, T.; Gerson, F.; de Meijere, A.; von Seebach, M. J. Am. Chem. Soc. 2003, 125, 13776.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 13776
-
-
Müller, B.1
Bally, T.2
Gerson, F.3
De Meijere, A.4
Von Seebach, M.5
-
22
-
-
85045503243
-
-
Linder, R.; Müller-Dethlefs, K.; Wedum, E.; Haber, K.; Grant, E. R. Science 1996, 271, 1698.
-
(1996)
Science
, vol.271
, pp. 1698
-
-
Linder, R.1
Müller-Dethlefs, K.2
Wedum, E.3
Haber, K.4
Grant, E.R.5
-
23
-
-
0344931021
-
-
Iwasaki, K.; Toriyama, K.; Nunone, H. J. Chem. Soc., Chem. Commun. 1983, 320.
-
(1983)
J. Chem. Soc., Chem. Commun.
, pp. 320
-
-
Iwasaki, K.1
Toriyama, K.2
Nunone, H.3
-
24
-
-
0001119470
-
-
Kadam, R. M.; Erikson, R.; Komaguchi, K.; Shiotani, M.; Lund, A. Chem. Phys. Lett. 1998, 290, 371.
-
(1998)
Chem. Phys. Lett.
, vol.290
, pp. 371
-
-
Kadam, R.M.1
Erikson, R.2
Komaguchi, K.3
Shiotani, M.4
Lund, A.5
-
25
-
-
0000987689
-
-
Feldman, V. I.; Sukhov, F. F.; Orlov, Y. Chem. Phys. Lett. 1999, 300, 713.
-
(1999)
Chem. Phys. Lett.
, vol.300
, pp. 713
-
-
Feldman, V.I.1
Sukhov, F.F.2
Orlov, Y.3
-
26
-
-
84863109000
-
-
Lund, A., Shiotani, M., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands
-
Feldman, V. I. In EPR of Free Radicals in Solids; Lund, A., Shiotani, M., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 2003; p 384.
-
(2003)
EPR of Free Radicals in Solids
, pp. 384
-
-
Feldman, V.I.1
-
27
-
-
0025219184
-
-
Shiotani, M.; Lindgren, M.; Ichikawa, T. J. Am. Chem. Soc. 1990, 112, 967.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 967
-
-
Shiotani, M.1
Lindgren, M.2
Ichikawa, T.3
-
28
-
-
13644270848
-
-
submitted for publication
-
4 as evidenced in the X-ray crystal structure analysis (Yufit, D. S.; Howard, J. A. K.; Kozushkov S. I.; Frank, D. S.; Seebach, M.; de Meijere, A. Cryst. Eng. Commun., submitted for publication).
-
Cryst. Eng. Commun.
-
-
Yufit, D.S.1
Howard, J.A.K.2
Kozushkov, S.I.3
Frank, D.S.4
Seebach, M.5
De Meijere, A.6
-
30
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
31
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pommelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzales, C.; Head-Gordon, M.; Repogle, E. S.; Pople, J. A. Gaussian 98, Revision A7-A11; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A7-A11
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pommelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, I.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Challacombe, M.48
Gill, P.M.W.49
Johnson, B.G.50
Chen, W.51
Wong, M.W.52
Andres, J.L.53
Gonzales, C.54
Head-Gordon, M.55
Repogle, E.S.56
Pople, J.A.57
more..
-
32
-
-
16444375810
-
-
Johnson, B. G.; Gill, P. M. W.; Pople, J. A. J. Chem. Phys. 1993, 98, 5612.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5612
-
-
Johnson, B.G.1
Gill, P.M.W.2
Pople, J.A.3
-
33
-
-
0033449808
-
-
Lipkowitz, K. B., Boyd, D. T., Eds.; Wiley-VCH: New York
-
Bally, T.; Borden, W. T. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. T., Eds.; Wiley-VCH: New York, 1999; Vol. 13, p 1.
-
(1999)
Reviews in Computational Chemistry
, vol.13
, pp. 1
-
-
Bally, T.1
Borden, W.T.2
-
34
-
-
0001157659
-
-
Chong, D. P., Ed.; World Scientific: Singapore
-
Casida, M. E. In Recent Advances in Density Functional Methods, part I; Chong, D. P., Ed.; World Scientific: Singapore, 1995; p 155.
-
(1995)
Recent Advances in Density Functional Methods, Part I
, pp. 155
-
-
Casida, M.E.1
-
35
-
-
0032533083
-
-
Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys. 1998, 109, 8218.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 8218
-
-
Stratmann, R.E.1
Scuseria, G.E.2
Frisch, M.J.3
|