-
19
-
-
38449095239
-
-
K.-C. Wu P.-J. Ku C.-S. Lin H.-T. Shih F.-I. Wu M.-J. Huang J. J. Lin I.-C. Chen C.-H. Cheng Adv. Funct. Mater. 2008 18 67
-
(2008)
Adv. Funct. Mater.
, vol.18
, pp. 67
-
-
Wu, K.-C.1
Ku, P.-J.2
Lin, C.-S.3
Shih, H.-T.4
Wu, F.-I.5
Huang, M.-J.6
Lin, J.J.7
Chen, I.-C.8
Cheng, C.-H.9
-
22
-
-
77950572909
-
-
W. Z. Yuan X. Y. Shen H. Zhao J. W. Y. Lam L. Tang P. Lu C. Wang Y. Liu Z. Wang Q. Zheng J. Z. Sun Y. Ma B. Z. Tang J. Phys. Chem. C 2010 114 6090
-
(2010)
J. Phys. Chem. C
, vol.114
, pp. 6090
-
-
Yuan, W.Z.1
Shen, X.Y.2
Zhao, H.3
Lam, J.W.Y.4
Tang, L.5
Lu, P.6
Wang, C.7
Liu, Y.8
Wang, Z.9
Zheng, Q.10
Sun, J.Z.11
Ma, Y.12
Tang, B.Z.13
-
24
-
-
84870905539
-
-
Bruker Analytical X-ray Instruments Inc., Madison, Wisconsin, USA
-
G. M. Sheldrick, SHELXTL, Version 5.1, Bruker Analytical X-ray Instruments Inc., Madison, Wisconsin, USA, 1998
-
(1998)
SHELXTL, Version 5.1
-
-
Sheldrick, G.M.1
-
26
-
-
70450206724
-
-
Gaussian Inc., Wallingford, CT, 2009
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Jr. Montgomery, J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, 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, R. Martin, L. R. K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski and D. J. Fox, Gaussian 09, Gaussian Inc., Wallingford, CT, 2009
-
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
Nakatsuji, H.11
Caricato, M.12
Li, X.13
Hratchian, H.P.14
Izmaylov, A.F.15
Bloino, J.16
Zheng, G.17
Sonnenberg, J.L.18
Hada, M.19
Ehara, M.20
Toyota, K.21
Fukuda, R.22
Hasegawa, J.23
Ishida, M.24
Nakajima, T.25
Honda, Y.26
Kitao, O.27
Nakai, H.28
Vreven, T.29
Montgomery, Jr.J.A.30
Peralta, J.E.31
Ogliaro, F.32
Bearpark, M.33
Heyd, J.J.34
Brothers, E.35
Kudin, K.N.36
Staroverov, V.N.37
Kobayashi, R.38
Normand, J.39
Raghavachari, K.40
Rendell, A.41
Burant, J.C.42
Iyengar, S.S.43
Tomasi, J.44
Cossi, M.45
Rega, N.46
Millam, J.M.47
Klene, M.48
Knox, J.E.49
Cross, J.B.50
Bakken, V.51
Adamo, C.52
Jaramillo, J.53
Gomperts, R.54
Stratmann, R.E.55
Yazyev, O.56
Austin, A.J.57
Cammi, R.58
Pomelli, C.59
Ochterski, J.W.60
Martin, R.61
Morokuma, L.R.K.62
Zakrzewski, V.G.63
Voth, G.A.64
Salvador, P.65
Dannenberg, J.J.66
Dapprich, S.67
Daniels, A.D.68
Farkas, O.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
27
-
-
33750559983
-
-
The π-hole refers to a positive electrostatic potential region of a deficient π-electron system, which is perpendicular to portions of the molecular network, such as the aromatic ring. For an aromatic molecule, when there are electron withdrawing groups attaching to the aromatic ring, it becomes easy to generate a π-hole. A calculation of the electrostatic potential surface confirms a π-hole does exist on the six-carbon atoms and center of the 1,4-DBrTFB molecule (cf. Fig. S1, ESI). So, when 1,4-DBrTFB interacts with the π-electrons of phenanthrene, it must be more appropriate to describe it as "π-hole⋯π bonding" instead of the general π-π stacking
-
S. Grimme J. Comput. Chem. 2006 27 1787
-
(2006)
J. Comput. Chem.
, vol.27
, pp. 1787
-
-
Grimme, S.1
-
28
-
-
0036446113
-
-
The similar terms in molecular spectroscopy are transannular conjugation or transannular charge transfer. See ref. 31-33
-
J. C. Collings K. P. Roscoe E. G. Robins A. S. Batsanov L. M. Stimson J. A. K. Howard S. J. Clark T. B. Marder New J. Chem. 2002 26 1740
-
(2002)
New J. Chem.
, vol.26
, pp. 1740
-
-
Collings, J.C.1
Roscoe, K.P.2
Robins, E.G.3
Batsanov, A.S.4
Stimson, L.M.5
Howard, J.A.K.6
Clark, S.J.7
Marder, T.B.8
-
33
-
-
24944455999
-
-
C. Li S.-F. Ren J.-L. Hou H.-P. Yi S.-Z. Zhu X.-K. Jiang Z.-T. Li Angew. Chem., Int. Ed. 2005 44 5725
-
(2005)
Angew. Chem., Int. Ed.
, vol.44
, pp. 5725
-
-
Li, C.1
Ren, S.-F.2
Hou, J.-L.3
Yi, H.-P.4
Zhu, S.-Z.5
Jiang, X.-K.6
Li, Z.-T.7
-
34
-
-
80155143467
-
-
C. L. Ren F. Zhou B. Qin R. J. Ye S. Shen H. B. Su H. Q. Zeng Angew. Chem., Int. Ed. 2011 50 10612
-
(2011)
Angew. Chem., Int. Ed.
, vol.50
, pp. 10612
-
-
Ren, C.L.1
Zhou, F.2
Qin, B.3
Ye, R.J.4
Shen, S.5
Su, H.B.6
Zeng, H.Q.7
|