-
27
-
-
0035528068
-
-
and references therein
-
J. Fujiwara Y. Iwasaki Y. Ohba S. Yamauchi N. Koga S. Karasawa M. Fuhs K. Möbius S. Weber Appl. Magn. Reson. 2001 21 483
-
(2001)
Appl. Magn. Reson.
, vol.21
, pp. 483
-
-
Fujiwara, J.1
Iwasaki, Y.2
Ohba, Y.3
Yamauchi, S.4
Koga, N.5
Karasawa, S.6
Fuhs, M.7
Möbius, K.8
Weber, S.9
-
30
-
-
84943008728
-
-
bodipy: 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene
-
bodipy: 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene
-
-
-
-
31
-
-
10744221451
-
-
C. W. Wan A. Burghart J. Chen F. Bergestroem L. Johansson M. F. Wolford T. G. Kim M. R. Topp R. M. Hochstrasser K. Burgess Chem.-Eur. J. 2003 9 4430
-
(2003)
Chem.-Eur. J.
, vol.9
, pp. 4430
-
-
Wan, C.W.1
Burghart, A.2
Chen, J.3
Bergestroem, F.4
Johansson, L.5
Wolford, M.F.6
Kim, T.G.7
Topp, M.R.8
Hochstrasser, R.M.9
Burgess, K.10
-
36
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, P. Salvador, J. J. Dannenberg, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.11), Gaussian, Inc., Pittsburgh, PA, 2001
-
(2001)
GAUSSIAN 98 (Revision A.11)
-
-
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 Jr., 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
Pomelli, 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
Salvador, P.30
Dannenberg, J.J.31
Malick, D.K.32
Rabuck, A.D.33
Raghavachari, K.34
Foresman, J.B.35
Cioslowski, J.36
Ortiz, J.V.37
Baboul, A.G.38
Stefanov, B.B.39
Liu, G.40
Liashenko, A.41
Piskorz, P.42
Komaromi, I.43
Gomperts, R.44
Martin, R.L.45
Fox, D.J.46
Keith, T.47
Al-Laham, M.A.48
Peng, C.Y.49
Nanayakkara, A.50
Challacombe, M.51
Gill, P.M.W.52
Johnson, B.G.53
Chen, W.54
Wong, M.W.55
Andres, J.L.56
Gonzalez, C.57
Head-Gordon, M.58
Replogle, E.S.59
Pople, J.A.60
more..
-
38
-
-
0001038501
-
-
The details of the spectral simulation are similar to those described in ref. 8b, with eqn (6) from ref. 8b being modified as follows: PMs = ω1Pzero field Ms + ω2P high field Ms, ω1 = 0.45, and ω2 = 0.55, as described in the text. P zero field Ms is the expectation value of the density matrix, which represents the populations of the zero-field spin sublevels and P high field Ms is that of the high-field spin sublevels (|S, MS). The doublet ground state was independently simulated using the g value determined experimentally and superimposed onto the quartet spectrum
-
Y. Teki I. Fujita T. Takui T. Kinoshita K. Itoh J. Am. Chem. Soc. 1994 116 11499
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 11499
-
-
Teki, Y.1
Fujita, I.2
Takui, T.3
Kinoshita, T.4
Itoh, K.5
-
39
-
-
33645511887
-
-
E. T. Chemick Q. Mi R. F. Kelley E. A. Weiss B. A. Jones T. J. Marks M. A. Ratner M. R. Wasielewski J. Am. Chem. Soc. 2006 128 4356
-
(2006)
J. Am. Chem. Soc.
, vol.128
, pp. 4356
-
-
Chemick, E.T.1
Mi, Q.2
Kelley, R.F.3
Weiss, E.A.4
Jones, B.A.5
Marks, T.J.6
Ratner, M.A.7
Wasielewski, M.R.8
-
40
-
-
33745728202
-
-
Although, in ref. 30b, Wasielewski et al. reported a e/a type radical-pair like signal without any structures in solution, the spin state was not confirmed See p. 4668 in ref. 15 and the ESR in ref. 15
-
Q. Mi E. T. Chemick D. W. McCamant E. A. Weiss T. J. Marks M. A. Ratner M. R. Wasielewski J. Phys. Chem. A 2006 110 7323
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 7323
-
-
Mi, Q.1
Chemick, E.T.2
McCamant, D.W.3
Weiss, E.A.4
Marks, T.J.5
Ratner, M.A.6
Wasielewski, M.R.7
-
42
-
-
0000830999
-
-
Although we tried the increase of the SCF cycles and the HOMO-LUMO mixing method to force the convergence, we could not obtain enough SCF convergency. This may be attributed to the intrinsic electronic structure of BF2 in the bodipy component and the large molecular size of 1
-
A. V. Astashkin A. Schweiger Chem. Phys. Lett. 1990 174 595
-
(1990)
Chem. Phys. Lett.
, vol.174
, pp. 595
-
-
Astashkin, A.V.1
Schweiger, A.2
-
47
-
-
0029963384
-
-
From the absorption spectrum shown in Fig. 2, the magnitude of the interaction between D and A is estimated to be about 2300 cm-1 as shown in the text. Such a large interaction cannot be a through-space interaction. Therefore, it is clear that PET is a through-bond effect in this case
-
K. Hasharoni H. Levanon S. R. Greenfield D. J. Gosztola W. A. Svec M. R. Wasielewski J. Am. Chem. Soc. 1996 118 10228
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 10228
-
-
Hasharoni, K.1
Levanon, H.2
Greenfield, S.R.3
Gosztola, D.J.4
Svec, W.A.5
Wasielewski, M.R.6
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