-
2
-
-
34247621214
-
What's new in stable radical chemistry?
-
DOI 10.1039/b617142g
-
(b) R. G. Hicks, Org. Biomol. Chem. 2007, 5, 1321. doi:10.1039/B617142G (Pubitemid 46674867)
-
(2007)
Organic and Biomolecular Chemistry
, vol.5
, Issue.9
, pp. 1321-1338
-
-
Hicks, R.G.1
-
4
-
-
84951267064
-
-
Eds S. Patai, Z. Rappoport John Wiley & Sons: New York, NY
-
(a) E. Breuer, H. G. Aurich, A. Nielsen, Nitrones, Nitronates, and Nitroxides 1989 (Eds S. Patai, Z. Rappoport) (John Wiley & Sons: New York, NY).
-
(1989)
Nitrones, Nitronates, and Nitroxides
-
-
Breuer, E.1
Aurich, H.G.2
Nielsen, A.3
-
5
-
-
62949108328
-
-
Wiley-VCH: Weinheim
-
(b) G. I. Likhtenshtein, J. Yamauchi, S. Nakatsuji, A. I. Smirnov, R. Tamura, Nitroxides: Applications in Chemistry, Biomedicine, and Materials Science 2008 (Wiley-VCH: Weinheim).
-
(2008)
Nitroxides: Applications in Chemistry, Biomedicine, and Materials Science
-
-
Likhtenshtein, G.I.1
Yamauchi, J.2
Nakatsuji, S.3
Smirnov, A.I.4
Tamura, R.5
-
7
-
-
0003697383
-
-
Eds K. Itoh, M. Kinoshita Kodansha, and Gordon and Breach Science Publishers: Tokyo
-
(b) Molecular Magnetism 2000 (Eds K. Itoh, M. Kinoshita) (Kodansha, and Gordon and Breach Science Publishers: Tokyo).
-
(2000)
Molecular Magnetism
-
-
-
8
-
-
0003804816
-
-
Eds J. S. Miller, M. Drillon Wiley-VCH: Weinheim
-
(c) Magnetism: Molecules to Materials, Vol. I-V 2001-2005 (Eds J. S. Miller, M. Drillon) (Wiley-VCH: Weinheim).
-
(2001)
Magnetism: Molecules to Materials
, vol.1-5
-
-
-
9
-
-
0037182988
-
-
doi:10.1016/S0009-2614 02 00705-4
-
(a) K. Nakahara, S. Iwasa, M. Satoh, Y. Morioka, J. Iriyama, M. Suguro, E. Hasegawa, Chem. Phys. Lett. 2002, 359, 351. doi:10.1016/S0009-2614 (02) 00705-4
-
(2002)
Chem. Phys. Lett.
, vol.359
, pp. 351
-
-
Nakahara, K.1
Iwasa, S.2
Satoh, M.3
Morioka, Y.4
Iriyama, J.5
Suguro, M.6
Hasegawa, E.7
-
10
-
-
38949101650
-
Toward flexible batteries
-
DOI 10.1126/science.1151831
-
(b) H. Nishide, K. Oyaizu, Science 2008, 319, 737. doi:10.1126/SCIENCE. 1151831 (Pubitemid 351227352)
-
(2008)
Science
, vol.319
, Issue.5864
, pp. 737-738
-
-
Nishide, H.1
Oyaizu, K.2
-
11
-
-
0036260190
-
-
We claimed in 2002 the possibility of realizing a high-performance secondary battery by utilizing stable neutral radical with multi-stage redox ability, and in 2007 we fabricated 'molecular crystalline secondary batteries' based on 6-oxophenalenoxyl neutral radical with multi-stage redox ability, see:, doi:10.1002/1521-3773 20020517 41:10<1793::AID-ANIE1793>3.0.CO;2-G
-
(c) We claimed in 2002 the possibility of realizing a high-performance secondary battery by utilizing stable neutral radical with multi-stage redox ability, and in 2007 we fabricated 'molecular crystalline secondary batteries' based on 6-oxophenalenoxyl neutral radical with multi-stage redox ability, see: Y. Morita, T. Aoki, K. Fukui, S. Nakazawa, K. Tamaki, S. Suzuki, A. Fuyuhiro, K. Yamamoto, K. Sato, D. Shiomi, A. Naito, T. Takui, K. Nakasuji, Angew. Chem. Int. Ed. 2002, 41, 1793. doi:10.1002/1521-3773 (20020517) 41:10<1793::AID- ANIE1793>3.0.CO;2-G
-
(2002)
Angew. Chem. Int. Ed.
, vol.41
, pp. 1793
-
-
Morita, Y.1
Aoki, T.2
Fukui, K.3
Nakazawa, S.4
Tamaki, K.5
Suzuki, S.6
Fuyuhiro, A.7
Yamamoto, K.8
Sato, K.9
Shiomi, D.10
Naito, A.11
Takui, T.12
Nakasuji, K.13
-
12
-
-
0001463622
-
-
doi:10.1021/OL020041V
-
(d) Y. Morita, S. Nishida, J. Kawai, K. Fukui, S. Nakazawa, K. Sato, D. Shiomi, T. Takui, K. Nakasuji, Org. Lett. 2002, 4, 1985. doi:10.1021/OL020041V
-
(2002)
Org. Lett.
, vol.4
, pp. 1985
-
-
Morita, Y.1
Nishida, S.2
Kawai, J.3
Fukui, K.4
Nakazawa, S.5
Sato, K.6
Shiomi, D.7
Takui, T.8
Nakasuji, K.9
-
14
-
-
0034679043
-
New persistent radicals: Synthesis and electronic spin structure of 2,5- di-tert-butyl-6-oxophenalenoxyl derivatives
-
DOI 10.1021/ja000298t
-
(f) Y. Morita, T. Ohba, N. Haneda, S. Maki, J. Kawai, K. Hatanaka, K. Sato, D. Shiomi, T. Takui, K. Nakasuji, J. Am. Chem. Soc. 2000, 122, 4825. doi:10.1021/JA000298T (Pubitemid 30331706)
-
(2000)
Journal of the American Chemical Society
, vol.122
, Issue.19
, pp. 4825-4826
-
-
Morita, Y.1
Ohba, T.2
Haneda, N.3
Maki, S.4
Kawai, J.5
Hatanaka, K.6
Sato, K.7
Shiomi, D.8
Takui, T.9
Nakasuji, K.10
-
15
-
-
66249116661
-
-
doi:10.1039/B819556K
-
(a) K. Sato, S. Nakazawa, R. Rahimi, T. Ise, S. Nishida, T. Yoshino, N. Mori, K. Toyota, D. Shiomi, Y. Yakiyama, Y. Morita, M. Kitagawa, K. Nakasuji, M. Nakahara, H. Hara, P. Carl, P. Höfer, T. Takui, J. Mater. Chem. 2009, 19, 3739. doi:10.1039/B819556K
-
(2009)
J. Mater. Chem.
, vol.19
, pp. 3739
-
-
Sato, K.1
Nakazawa, S.2
Rahimi, R.3
Ise, T.4
Nishida, S.5
Yoshino, T.6
Mori, N.7
Toyota, K.8
Shiomi, D.9
Yakiyama, Y.10
Morita, Y.11
Kitagawa, M.12
Nakasuji, K.13
Nakahara, M.14
Hara, H.15
Carl, P.16
Höfer, P.17
Takui, T.18
-
16
-
-
84886182782
-
-
Eds M. Nakahara, Y. Ota, R. Rahimi World Scientific: Singapore
-
(b) K. Sato, S. Nakazawa, R. Rahimi, S. Nishida, T. Ise, D. Shiomi, K. Toyota, Y. Morita, M. Kitagawa. P. Carl, P. Höfer, T. Takui, in Molecular Realizations of Quantum Computing 2007 2009, pp. 58-162 (Eds M. Nakahara, Y. Ota, R. Rahimi) (World Scientific: Singapore).
-
(2009)
Molecular Realizations of Quantum. Computing 2007
, pp. 58-162
-
-
Sato, K.1
Nakazawa, S.2
Rahimi, R.3
Nishida, S.4
Ise, T.5
Shiomi, D.6
Toyota, K.7
Morita, Y.8
Kitagawa, M.9
Carl, P.10
Höfer, P.11
Takui, T.12
-
17
-
-
77952554966
-
-
doi:10.1021/JA102030W
-
(c) Y. Morita, Y. Yakiyama, S. Nakazawa, T. Murata, T. Ise, D. Hashizume, D. Shiomi, M. Kitagawa, K. Nakasuji, T. Takui, J. Am. Chem. Soc. 2010, 132, 6944. doi:10.1021/JA102030W
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 6944
-
-
Morita, Y.1
Yakiyama, Y.2
Nakazawa, S.3
Murata, T.4
Ise, T.5
Hashizume, D.6
Shiomi, D.7
Kitagawa, M.8
Nakasuji, K.9
Takui, T.10
-
18
-
-
27844519388
-
Spin transfer and solvato-/thermochromism induced by intramolecular electron transfer in a purely organic open-shell system
-
DOI 10.1002/anie.200502180
-
For our recent studies on phenalenyl systems as a highly spindelocalized planar π-radical, see: (a) S. Nishida, Y. Morita, K. Fukui, K. Sato, D. Shiomi, T. Takui, K. Nakasuji, Angew. Chem. Int. Ed. 2005, 44, 7277. doi:10.1002/ANIE.200502180 (Pubitemid 41643830)
-
(2005)
Angewandte Chemie - International Edition
, vol.44
, Issue.44
, pp. 7277-7280
-
-
Nishida, S.1
Morita, Y.2
Fukui, K.3
Sato, K.4
Shiomi, D.5
Takui, T.6
Nakasuji, K.7
-
19
-
-
33644640265
-
Aromaticity on the pancake-bonded dimer of neutral phenalenyl radical as studied by MS and NMR spectroscopies and NICS analysis
-
DOI 10.1021/ja058387z
-
(b) S. Suzuki, Y. Morita, K. Fukui, K. Sato, D. Shiomi, T. Takui, K. Nakasuji, J. Am. Chem. Soc. 2006, 128, 2530. doi:10.1021/JA058387Z (Pubitemid 43327918)
-
(2006)
Journal of the American Chemical Society
, vol.128
, Issue.8
, pp. 2530-2531
-
-
Suzuki, S.1
Morita, Y.2
Fukui, K.3
Sato, K.4
Shiomi, D.5
Takui, T.6
Nakasuji, K.7
-
20
-
-
37649006955
-
-
doi:10.1038/NMAT2067
-
(c) Y. Morita, S. Suzuki, K. Fukui, S. Nakazawa, H. Kitagawa, H. Kishida, H. Okamoto, A. Naito, A. Sekine, Y. Ohashi, M. Shiro, K. Sasaki, D. Shiomi, K. Sato, T. Takui, K. Nakasuji, Nat. Mater. 2008, 7, 48. doi:10.1038/NMAT2067
-
(2008)
Nat. Mater.
, vol.7
, pp. 48
-
-
Morita, Y.1
Suzuki, S.2
Fukui, K.3
Nakazawa, S.4
Kitagawa, H.5
Kishida, H.6
Okamoto, H.7
Naito, A.8
Sekine, A.9
Ohashi, Y.10
Shiro, M.11
Sasaki, K.12
Shiomi, D.13
Sato, K.14
Takui, T.15
Nakasuji, K.16
-
21
-
-
41649088293
-
-
doi:10.1351/PAC200880030507
-
(d) Y. Morita, S. Nishida, J. Kawai, T. Takui, K. Nakasuji, Pure Appl. Chem. 2008, 80, 507. doi:10.1351/PAC200880030507
-
(2008)
Pure Appl. Chem.
, vol.80
, pp. 507
-
-
Morita, Y.1
Nishida, S.2
Kawai, J.3
Takui, T.4
Nakasuji, K.5
-
22
-
-
78650147509
-
-
See also ref. 4c-f
-
(e) See also ref. 4c-f.
-
-
-
-
24
-
-
1542743726
-
-
doi:10.1038/318162A0
-
(a) H. W. Kroto, J. R. Heath, S. C. O'Brien, R. F. Curl, R. E. Smalley, Nature 1985, 318, 162. doi:10.1038/318162A0
-
(1985)
Nature
, vol.318
, pp. 162
-
-
Kroto, H.W.1
Heath, J.R.2
O'Brien, S.C.3
Curl, R.F.4
Smalley, R.E.5
-
25
-
-
0342819025
-
-
doi:10.1038/354056A0
-
(b) S. Iijima, Nature 1991, 354, 56. doi:10.1038/354056A0
-
(1991)
Nature
, vol.354
, pp. 56
-
-
Iijima, S.1
-
26
-
-
0003591042
-
-
For overviews of fullerene and carbon nanotube chemistry, see: a, Eds K. M. Kadish, R. S. Ruoff John Wiley & Sons: New York, NY
-
For overviews of fullerene and carbon nanotube chemistry, see: (a) Fullerenes: Chemistry, Physics and Technology 2000 (Eds K. M. Kadish, R. S. Ruoff) (John Wiley & Sons: New York, NY).
-
(2000)
Fullerenes: Chemistry, Physics and Technology
-
-
-
27
-
-
0003790413
-
-
Eds M. D. Dresselhaus, R. S. Dresselhaus, P. Avouris Springer: Heidelberg
-
(b) Carbon Nanotubes Synthesis, Structure, Properties, and Applications 2001 (Eds M. D. Dresselhaus, R. S. Dresselhaus, P. Avouris) (Springer: Heidelberg).
-
(2001)
Carbon Nanotubes Synthesis, Structure, Properties, and Applications
-
-
-
29
-
-
84891008336
-
-
Ch. 12, Eds M. M. Haley, R. R. Tykwinski Wiley-VCH: Weinheim
-
(a) A. Sygula, P. W. Rabideau, in Carbon-Rich Compounds 2006, Ch. 12, pp. 529-565 (Eds M. M. Haley, R. R. Tykwinski) (Wiley-VCH: Weinheim).
-
(2006)
Carbon-Rich Compounds
, pp. 529-565
-
-
Sygula, A.1
Rabideau, P.W.2
-
30
-
-
33846206028
-
Aromatic molecular-bowl hydrocarbons: Synthetic derivatives, their structures, and physical properties
-
DOI 10.1021/cr050554q
-
(b) Y.-T. Wu, J. S. Siegel, Chem. Rev. 2006, 106, 4843. doi:10.1021/CR050554Q (Pubitemid 46099383)
-
(2006)
Chemical Reviews
, vol.106
, Issue.12
, pp. 4843-4867
-
-
Wu, Y.-T.1
Siegel, J.S.2
-
31
-
-
33846230048
-
Geodesic polyarenes by flash vacuum pyrolysis
-
DOI 10.1021/cr050553y
-
(c) V. M. Tsefrikas, L. T. Scott, Chem. Rev. 2006, 106, 4868. doi:10.1021/CR050553Y (Pubitemid 46099384)
-
(2006)
Chemical Reviews
, vol.106
, Issue.12
, pp. 4868-4884
-
-
Tsefrikas, V.M.1
Scott, L.T.2
-
32
-
-
0001480919
-
-
doi:10.1021/JA00139A022
-
(a) C. Corvaja, M. Maggini, M. Prato, G. Scorrano, M. Venzin, J. Am. Chem. Soc. 1995, 117, 8857. doi:10.1021/JA00139A022
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 8857
-
-
Corvaja, C.1
Maggini, M.2
Prato, M.3
Scorrano, G.4
Venzin, M.5
-
34
-
-
0001389633
-
-
See also: c, doi:10.1126/SCIENCE.254. 5035.1183
-
See also: (c) P. J. Krusic, E. Wasserman, P. N. Keizer, J. R. Morton, K. F. Preston, Science 1991, 254, 1183. doi:10.1126/SCIENCE.254. 5035.1183
-
(1991)
Science
, vol.254
, pp. 1183
-
-
Krusic, P.J.1
Wasserman, E.2
Keizer, P.N.3
Morton, J.R.4
Preston, K.F.5
-
35
-
-
2442560404
-
The first bowl-shaped stable neutral radical with a corannulene system: Synthesis and characterization of the electronic structure
-
DOI 10.1021/ol0497786
-
For our recent studies on air-stable curved p-radicals, see: (a) Y. Morita, S. Nishida, T. Kobayashi, K. Fukui, K. Sato, D. Shiomi, T. Takui, K. Nakasuji, Org. Lett. 2004, 6, 1397. doi:10.1021/OL0497786 (Pubitemid 38626313)
-
(2004)
Organic Letters
, vol.6
, Issue.9
, pp. 1397-1400
-
-
Morita, Y.1
Nishida, S.2
Kobayashi, T.3
Fukui, K.4
Sato, K.5
Shiomi, D.6
Takui, T.7
Nakasuji, K.8
-
36
-
-
27644559517
-
-
doi:10.1016/J. POLY.2005.03.041
-
(b) S. Nishida, Y. Morita, T. Kobayashi, K. Fukui, A. Ueda, K. Sato, D. Shiomi, T. Takui, K. Nakasuji, Polyhedron 2005, 24, 2200. doi:10.1016/J. POLY.2005.03.041
-
(2005)
Polyhedron.
, vol.24
, pp. 2200
-
-
Nishida, S.1
Morita, Y.2
Kobayashi, T.3
Fukui, K.4
Ueda, A.5
Sato, K.6
Shiomi, D.7
Takui, T.8
Nakasuji, K.9
-
37
-
-
27644479652
-
-
doi:10.1016/J. POLY.2005.03.069
-
(c) K. Fukui, Y. Morita, S. Nishida, T. Kobayashi, K. Sato, D. Shiomi, T. Takui, K. Nakasuji, Polyhedron 2005, 24, 2326. doi:10.1016/J. POLY.2005.03.069
-
(2005)
Polyhedron.
, vol.24
, pp. 2326
-
-
Fukui, K.1
Morita, Y.2
Nishida, S.3
Kobayashi, T.4
Sato, K.5
Shiomi, D.6
Takui, T.7
Nakasuji, K.8
-
38
-
-
53549125539
-
-
doi:10.1002/ANIE.200704752
-
(d) Y. Morita, A. Ueda, S. Nishida, K. Fukui, T. Ise, D. Shiomi, K. Sato, T. Takui, K. Nakasuji, Angew. Chem. Int. Ed. 2008, 47, 2035. doi:10.1002/ANIE.200704752
-
(2008)
Angew. Chem. Int. Ed.
, vol.47
, pp. 2035
-
-
Morita, Y.1
Ueda, A.2
Nishida, S.3
Fukui, K.4
Ise, T.5
Shiomi, D.6
Sato, K.7
Takui, T.8
Nakasuji, K.9
-
39
-
-
57349148274
-
-
doi:10.1021/JA806708J
-
(e) S. Nishida, Y. Morita, A. Ueda, T. Kobayashi, K. Fukui, K. Ogasawara, K. Sato, T. Takui, K. Nakasuji, J. Am. Chem. Soc. 2008, 130, 14954. doi:10.1021/JA806708J
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 14954
-
-
Nishida, S.1
Morita, Y.2
Ueda, A.3
Kobayashi, T.4
Fukui, K.5
Ogasawara, K.6
Sato, K.7
Takui, T.8
Nakasuji, K.9
-
40
-
-
77649131466
-
-
doi:10.1002/ANIE.200906666
-
(f) A. Ueda, S. Nishida, K. Fukui, T. Ise, D. Shiomi, K. Sato, T. Takui, K. Nakasuji, Y. Morita, Angew. Chem. Int. Ed. 2010, 49, 1678. doi:10.1002/ANIE.200906666
-
(2010)
Angew. Chem. Int. Ed.
, vol.49
, pp. 1678
-
-
Ueda, A.1
Nishida, S.2
Fukui, K.3
Ise, T.4
Shiomi, D.5
Sato, K.6
Takui, T.7
Nakasuji, K.8
Morita, Y.9
-
41
-
-
77956034934
-
-
doi:10.1002/ANIE.201002626
-
(g) A. Ueda, K. Ogasawara, S. Nishida, T. Ise, T. Yoshino, S. Nakazawa, K. Sato, T. Takui, K. Nakasuji, Y. Morita, Angew. Chem. Int. Ed. 2010, 49, 6333. doi:10.1002/ANIE.201002626
-
(2010)
Angew. Chem. Int. Ed.
, vol.49
, pp. 6333
-
-
Ueda, A.1
Ogasawara, K.2
Nishida, S.3
Ise, T.4
Yoshino, T.5
Nakazawa, S.6
Sato, K.7
Takui, T.8
Nakasuji, K.9
Morita, Y.10
-
43
-
-
0033198651
-
Synthesis of corannulene and alkyl derivatives of corannulene
-
DOI 10.1021/ja991310o
-
T. J. Seiders, E. L. Elliott, G. H. Grube, J. S. Siegel, J. Am. Chem. Soc. 1999, 121, 7804. doi:10.1021/JA991310O (Pubitemid 29420501)
-
(1999)
Journal of the American Chemical Society
, vol.121
, Issue.34
, pp. 7804-7813
-
-
Seiders, T.J.1
Elliott, E.L.2
Grube, G.H.3
Siegel, J.S.4
-
44
-
-
0038626673
-
-
Revision E. 01, Gaussian Inc.: Wallingford, CT
-
(a) M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, Jr., T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian 03, Revision E. 01 2004 (Gaussian Inc.: Wallingford, CT).
-
(2004)
Gaussian 03
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
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45
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78650168417
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-6 hartree
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-6 hartree.
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46
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78650098120
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Our previous theoretical study ref. 12c reports that the radicalsubstituted corannulene derivatives have at least two metastable geometries with respect to the rotational motion of the radical moiety. On the basis of this finding, we have carefully determined the most stable geometry of 4
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Our previous theoretical study (ref. 12c) reports that the radicalsubstituted corannulene derivatives have at least two metastable geometries with respect to the rotational motion of the radical moiety. On the basis of this finding, we have carefully determined the most stable geometry of 4.
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47
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78650135809
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note
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The calculated (UB3LYP/6-31G (d) level) spin densities on the carbon or nitrogen atom of the verdazyl, iminonitroxide, phenoxyl, and tert-butylnitroxide moieties attached to the corannulene skeleton are -0.160, -0.128, +0.349, and +0.374, respectively. These calculated results also suggest that the highest degree of extensive spindelocalized nature of 4 in comparison with 1-3 is attributable to the direct attachment of the spin centre of the tert-butylnitroxide moiety to the corannulene skeleton.
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48
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78650105352
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Judging from the angular-dependent
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N at θ = 70° seems somewhat abnormal. However, the origin is not clear at this stage.
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49
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78650152134
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-1, respectively
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-1), respectively.
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50
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78650115851
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N and
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H2 in the other two geometries are (0.899 mT and 0.403mT, θ = -34°) and (0.934mT and 0.303mT, θ = 40°), respectively.
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51
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78650150314
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3 CN solution. This result demonstrates the occurrence of a significant π-conjugation between the radical and corannulene moieties of 4 as well as 1-3 see also ref. 12a, b, d
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3 CN solution. This result demonstrates the occurrence of a significant π-conjugation between the radical and corannulene moieties of 4 as well as 1-3 (see also ref. 12a, b, d).
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52
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78650141372
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-1 between the two geometries19 in detail because the present DFT calculations do not take into account intermolecular interactions such as aggregation behaviour or solvent effects that occur under actual experimental conditions
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-1) between the two geometries[19] in detail because the present DFT calculations do not take into account intermolecular interactions such as aggregation behaviour or solvent effects that occur under actual experimental conditions.
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53
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85021622022
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doi:10.1021/JA00031A079
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We are also interested in 3D dynamic molecular and electronic-spin structures relevant to bowl-to-bowl inversion phenomenon of openshell systems of corannulene in a solution state, and we have already reported the calculated inversion barriers of some open-shell systems (see ref. 12e, g). In contrast to the closed-shell systems documented so far, such dynamic structures of the open-shell systems have not been experimentally investigated. The neutral radical 4 possessing the large amount of spin density on the corannulene skeleton gives a testing ground for studying the inversion behaviour. The experimental observation by pulsed-ESR technique is underway in our group. For experimental studies on the bowl-to-bowl inversion phenomenon of the closed-shell systems, see: (a) L. T. Scott, M. M. Hashemi, M. S. Bratcher, J. Am. Chem. Soc. 1992, 114, 1920. doi:10.1021/JA00031A079
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(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 1920
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Scott, L.T.1
Hashemi, M.M.2
Bratcher, M.S.3
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54
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0001815647
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doi:10.1021/JA9521987
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(b) A. Sygula, A. H. Abdourazak, P. W. Rabideau, J. Am. Chem. Soc. 1996, 118, 339. doi:10.1021/JA9521987
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(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 339
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Sygula, A.1
Abdourazak, A.H.2
Rabideau, P.W.3
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55
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0035977623
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Structure/energy correlation of bowl depth and inversion barrier in corannulene derivatives: Combined experimental and quantum mechanical analysis
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DOI 10.1021/ja0019981
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(c) T. J. Seiders, K. K. Baldridge, G. H. Grube, J. S. Siegel, J. Am. Chem. Soc. 2001, 123, 517. doi:10.1021/JA0019981 (Pubitemid 32105994)
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(2001)
Journal of the American Chemical Society
, vol.123
, Issue.4
, pp. 517-525
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Seiders, T.J.1
Baldridge, K.K.2
Grube, G.H.3
Siegel, J.S.4
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56
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38949152637
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Steric isotope effects gauged by the bowl-inversion barrier in selectively deuterated pentaarylcorannulenes
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DOI 10.1021/ja073052y
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(d) T. Hayama, K. K. Baldridge, Y.-T. Wu, A. Linden, J. S. Siegel, J. Am. Chem. Soc. 2008, 130, 1583. doi:10.1021/JA073052Y (Pubitemid 351214076)
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(2008)
Journal of the American Chemical Society
, vol.130
, Issue.5
, pp. 1583-1591
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Hayama, T.1
Baldridge, K.K.2
Wu, Y.-T.3
Linden, A.4
Siegel, J.S.5
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