-
1
-
-
85088266050
-
-
note
-
2S were obtained.
-
-
-
-
2
-
-
85088243210
-
-
note
-
w = 0.041.
-
-
-
-
3
-
-
26844534384
-
-
Ab initio SCF calculations with geometry optimization and frequency calculation were performed in the 6-311G** basis set [(a) Pople, J. A. J. Chem. Phys. 1980, 72, 650. (b) Curtis, L. A.; McGrath, M. P.; Blandeau, J.-P.; Davis, N. E.; Binning, R. C., Jr.; Radom, L. J. Chem. Phys. 1995, 103, 6104] with Gaussian 94W.
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(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Pople, J.A.1
-
4
-
-
36448999570
-
-
with Gaussian 94W
-
Ab initio SCF calculations with geometry optimization and frequency calculation were performed in the 6-311G** basis set [(a) Pople, J. A. J. Chem. Phys. 1980, 72, 650. (b) Curtis, L. A.; McGrath, M. P.; Blandeau, J.-P.; Davis, N. E.; Binning, R. C., Jr.; Radom, L. J. Chem. Phys. 1995, 103, 6104] with Gaussian 94W.
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(1995)
J. Chem. Phys.
, vol.103
, pp. 6104
-
-
Curtis, L.A.1
McGrath, M.P.2
Blandeau, J.-P.3
Davis, N.E.4
Binning Jr., R.C.5
Radom, L.6
-
5
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA, Full geometry optimization was performed with conventional Gaussian default convergence criteria from a starting geometry obtained at AM1 level
-
(c) Gaussian 94, Revision D.1; Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T. A.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Peng, C. Y.; Ayala, P. Y.; 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.; Head-Gordon, M.; Gonzales, C.; Pople, J. A., Gaussian, Inc., Pittsburgh, PA, 1995. Full geometry optimization was performed with conventional Gaussian default convergence criteria from a starting geometry obtained at AM1 level.
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(1995)
Gaussian 94, Revision D.1
-
-
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.A.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
Peng, C.Y.16
Ayala, P.Y.17
Wong, M.W.18
Andres, J.L.19
Replogle, E.S.20
Gomperts, R.21
Martin, R.L.22
Fox, D.J.23
Binkley, J.S.24
Defrees, D.J.25
Baker, J.26
Stewart, J.P.27
Head-Gordon, M.28
Gonzales, C.29
Pople, J.A.30
more..
-
7
-
-
84986435995
-
-
(e) Davis, L. P.; Guidry, R. M.; Williams, J. R.; Dewar, M. J.; Rzepa, H. S. J. Comput. Chem. 1981, 2, 433.
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(1981)
J. Comput. Chem.
, vol.2
, pp. 433
-
-
Davis, L.P.1
Guidry, R.M.2
Williams, J.R.3
Dewar, M.J.4
Rzepa, H.S.5
-
8
-
-
37049078822
-
-
Cristiani, F.; Demartin, F.; Devillanova, F. A.; Isaia, F.; Saba, G.; Verani, G. J. Chem. Soc., Dalton Trans. 1992, 3553.
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(1992)
J. Chem. Soc., Dalton Trans.
, pp. 3553
-
-
Cristiani, F.1
Demartin, F.2
Devillanova, F.A.3
Isaia, F.4
Saba, G.5
Verani, G.6
-
9
-
-
0542396263
-
-
Cristiani, F.; Devillanova, F. A.; Isaia, F.; Verani, G.; Battaglia, L.; Bonamartini Corradi, A. J. Chem. Res. (S) 1989, 32.
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(1989)
J. Chem. Res. (S)
, pp. 32
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Cristiani, F.1
Devillanova, F.A.2
Isaia, F.3
Verani, G.4
Battaglia, L.5
Bonamartini Corradi, A.6
-
10
-
-
0542443809
-
-
note
-
∞ are the following (in parentheses the corresponding values of pure L): 198.3 (182) for C=O, 194.4 (181) for C=S, 64.2 (64.8) for C(5), and 25.9 and 23.1 (25.3) for the methyl groups bonded to C(5).
-
-
-
-
12
-
-
84984001505
-
-
Jacobs, V. H.; Harbrecht, B.; Müller, P.; Bronger, W. Z. Anorg. Allg. Chew. 1982, 491, 154.
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(1982)
Anorg. Allg. Chew.
, vol.491
, pp. 154
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-
Jacobs, V.H.1
Harbrecht, B.2
Müller, P.3
Bronger, W.Z.4
-
15
-
-
0001346897
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-
(b) Kasuga, N.; Nakahama, S.; Yamaguchi, K., Ohashi, Y.; Hori, K. Bull. Chem. Soc. Jpn. 1991, 64, 3548.
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(1991)
, vol.64
, pp. 3548
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-
Kasuga, N.1
Nakahama, S.2
Yamaguchi, K.3
Ohashi, Y.4
Hori, K.5
Jpn, B.C.S.6
-
16
-
-
37049077745
-
-
Assmus, R.; Böhmer, V.; Harrowfield, J. M.; Ogden, M. I.; Richmond, W. R.; Skelton, B. W.; White, A. H. J. Chem. Soc., Dalton Trans. 1993. 2427.
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(1993)
J. Chem. Soc., Dalton Trans.
, pp. 2427
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Assmus, R.1
Böhmer, V.2
Harrowfield, J.M.3
Ogden, M.I.4
Richmond, W.R.5
Skelton, B.W.6
White, A.H.7
-
17
-
-
0007133402
-
-
(d) Thuéry, P.; Nierlich, M.; Bryan, J. C.; Lamare, V.; Dozol, J.-F.; Asfari, Z.; Vicens, J. J. Chem. Soc., Dalton Trans. 1997, 4191.
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(1997)
J. Chem. Soc., Dalton Trans.
, pp. 4191
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Thuéry, P.1
Nierlich, M.2
Bryan, J.C.3
Lamare, V.4
Dozol, J.-F.5
Asfari, Z.6
Vicens, J.7
-
18
-
-
33748829439
-
-
and references therein
-
(e) Domasevitch, K. V.; Onomareva, V. V.; Rusanov, E. B. J. Chem. Soc., Dalton Trans. 1997, 1177 and references therein.
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J. Chem. Soc., Dalton Trans.
, vol.117
, pp. 7
-
-
Domasevitch, K.V.1
Onomareva, V.V.2
Rusanov, E.B.3
-
19
-
-
0003461218
-
-
Atwood, J. L., Eric, J., Davies, D., MacNicol, D. D., Vögtle, F., Eds.; Pergamon: Oxford
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Fredericks, J. R.; Hamilton, A. D. in Comprehensive Supramolecular Chemistry; Atwood, J. L., Eric, J., Davies, D., MacNicol, D. D., Vögtle, F., Eds.; Pergamon: Oxford, 1996; Vol. 9.
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(1996)
Comprehensive Supramolecular Chemistry
, pp. 9
-
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Fredericks, J.R.1
Hamilton, A.D.2
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20
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33748242606
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(a) Subramanian, S.; Zaworotko, M. J. Angew. Chem., Int. Ed. Engl. 1995, 34, 2127.
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, vol.34
, pp. 2127
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Subramanian, S.1
Zaworotko, M.J.2
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21
-
-
0542420036
-
-
and references therein
-
(b) Withersby, M. A.; Blake, J. B.; Champness, N. R.; Hubberstey, P.; Li, W.-S.; Schröder, M. Angew. Chem., Int. Ed. Engl. 1997, 36, 2027 and references therein.
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(1997)
Angew. Chem., Int. Ed. Engl.
, vol.36
, pp. 2027
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Withersby, M.A.1
Blake, J.B.2
Champness, N.R.3
Hubberstey, P.4
Li, W.-S.5
Schröder, M.6
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