-
3
-
-
0001064483
-
-
Rowsell, B. D.; Gillespie, R. J.; Heard, G. L. Inorg. Chem. 1999, 38, 4659-4662
-
(1999)
Inorg. Chem.
, vol.38
, pp. 4659-4662
-
-
Rowsell, B.D.1
Gillespie, R.J.2
Heard, G.L.3
-
4
-
-
78249235891
-
-
Alkorta, I.; Elguero, J.; Del Bene, J. E.; Mó, O.; Yáñez, M. Chem.-Eur. J. 2010, 16, 11897-11905
-
(2010)
Chem.-Eur. J.
, vol.16
, pp. 11897-11905
-
-
Alkorta, I.1
Elguero, J.2
Del Bene, J.E.3
Mó, O.4
Yáñez, M.5
-
5
-
-
70349309650
-
-
Grant, D. J.; Dixon, D. A.; Camaioni, D.; Potter, R. G.; Christe, K. O. Inorg. Chem. 2009, 48, 8811-8821
-
(2009)
Inorg. Chem.
, vol.48
, pp. 8811-8821
-
-
Grant, D.J.1
Dixon, D.A.2
Camaioni, D.3
Potter, R.G.4
Christe, K.O.5
-
7
-
-
0001006275
-
-
Briack, T.; Murray, J. S.; Politzer, P. Inorg. Chem. 1993, 32, 2622-2625
-
(1993)
Inorg. Chem.
, vol.32
, pp. 2622-2625
-
-
Briack, T.1
Murray, J.S.2
Politzer, P.3
-
10
-
-
0003915529
-
-
Theoretical Chemistry Institute, University of Wisconsin, Madison
-
Glendening, E. D.; Badenhoop, J, K.; Reed, A. E.; Carpenter, J. E.; Bohmann, J. A.; Morales, C. M.; Weinhold, F. NBO 5.0, Theoretical Chemistry Institute, University of Wisconsin, Madison, 2001.
-
(2001)
NBO 5.0
-
-
Glendening, E.D.1
Badenhoop, J.K.2
Reed, A.E.3
Carpenter, J.E.4
Bohmann, J.A.5
Morales, C.M.6
Weinhold, F.7
-
11
-
-
0011083499
-
-
(Gaussian NBO 3.1)
-
Reed, A. E.; Curtiss, L. A.; Weinhold, F. Chem. Rev. 1988, 88, 899-926 (Gaussian NBO 3.1)
-
(1988)
Chem. Rev.
, vol.88
, pp. 899-926
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
12
-
-
73349126734
-
-
Stephan, D. W.; Erker, G. Angew. Chem., Int. Ed. 2010, 49, 46-76
-
(2010)
Angew. Chem., Int. Ed.
, vol.49
, pp. 46-76
-
-
Stephan, D.W.1
Erker, G.2
-
14
-
-
0000215434
-
-
Vanka, K.; Chan, M. S. W.; Pye, C. C.; Ziegler, T. Organometallics 2000, 19, 1841-1849
-
(2000)
Organometallics
, vol.19
, pp. 1841-1849
-
-
Vanka, K.1
Chan, M.S.W.2
Pye, C.C.3
Ziegler, T.4
-
15
-
-
0000863229
-
-
Jacobsen, H.; Berke, H.; Döring, S.; Kehr, G.; Erker, G.; Fröhlich, R.; Meyer, O. Organometallics 1999, 18, 1724-1735
-
(1999)
Organometallics
, vol.18
, pp. 1724-1735
-
-
Jacobsen, H.1
Berke, H.2
Döring, S.3
Kehr, G.4
Erker, G.5
Fröhlich, R.6
Meyer, O.7
-
18
-
-
68049110617
-
-
Rokob, T. A.; Hamza, A.; Pápai, I. J. Am. Chem. Soc. 2009, 131, 10701-10710
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 10701-10710
-
-
Rokob, T.A.1
Hamza, A.2
Pápai, I.3
-
19
-
-
78650694334
-
-
Geier, S. J.; Gilbert, T. M.; Stephan, D. W. Inorg. Chem. 2011, 50, 336-344
-
(2011)
Inorg. Chem.
, vol.50
, pp. 336-344
-
-
Geier, S.J.1
Gilbert, T.M.2
Stephan, D.W.3
-
20
-
-
69249173034
-
-
Chase, P. A.; Gille, A. L.; Gilbert, T. M.; Stephan, D. W. Dalton Trans. 2009, 7179-7188
-
(2009)
Dalton Trans.
, pp. 7179-7188
-
-
Chase, P.A.1
Gille, A.L.2
Gilbert, T.M.3
Stephan, D.W.4
-
21
-
-
72949086967
-
-
Geier, S. J.; Gille, A. L.; Gilbert, T. M.; Stephan, D. W. Inorg. Chem. 2009, 48, 10466-10474
-
(2009)
Inorg. Chem.
, vol.48
, pp. 10466-10474
-
-
Geier, S.J.1
Gille, A.L.2
Gilbert, T.M.3
Stephan, D.W.4
-
22
-
-
77956420654
-
-
Zhao, X.; Gilbert, T. M.; Stephan, D. W. Chem.-Eur. J. 2010, 16, 10304-10308
-
(2010)
Chem.-Eur. J.
, vol.16
, pp. 10304-10308
-
-
Zhao, X.1
Gilbert, T.M.2
Stephan, D.W.3
-
23
-
-
79951821584
-
-
Neu, R. C.; Otten, E.; Lough, A.; Stephan, D. W. Chem. Sci. 2011, 2, 170-176
-
(2011)
Chem. Sci.
, vol.2
, pp. 170-176
-
-
Neu, R.C.1
Otten, E.2
Lough, A.3
Stephan, D.W.4
-
25
-
-
75749083809
-
-
Gaussian, Inc. Wallingford CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, Jr. , J. A.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, N. J.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, Revision A.02; Gaussian, Inc., Wallingford CT, 2009.
-
(2009)
Gaussian 09, Revision A.02
-
-
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, N.J.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.L.61
Morokuma, 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, Ö.69
Foresman, J.B.70
Ortiz, J.V.71
Cioslowski, J.72
Fox, D.J.73
more..
-
27
-
-
0033731344
-
-
Lynch, B. J.; Fast, P. L.; Harris, M.; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 4811-4815
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 4811-4815
-
-
Lynch, B.J.1
Fast, P.L.2
Harris, M.3
Truhlar, D.G.4
-
38
-
-
84893169025
-
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347-1363
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347-1363
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
39
-
-
84885102778
-
-
In; Dykstra, C. E. Frenking, G. Kim, K. S. Scuseria, G. E. Eds; Elsevier: Amsterdam
-
Gordon, M. S.; Schmidt, M. W. In Theory and Applications of Computational Chemistry: The First Forty Years; Dykstra, C. E.; Frenking, G.; Kim, K. S.; Scuseria, G. E., Eds; Elsevier: Amsterdam, 2005; pp 1167-1189.
-
(2005)
Theory and Applications of Computational Chemistry: The First Forty Years
, pp. 1167-1189
-
-
Gordon, M.S.1
Schmidt, M.W.2
-
40
-
-
80051525239
-
-
version 1.3.5d9; University of Erlangen-Nürnberg, Erlangen, Germany
-
van Eikema Hommes, N. Molecule for Macintosh, version 1.3.5d9; University of Erlangen-Nürnberg, Erlangen, Germany, 1999.
-
(1999)
Molecule for Macintosh
-
-
Van Eikema Hommes, N.1
-
41
-
-
80051487043
-
-
version 12.2.9, Microsoft Corporation
-
Microsoft Excel 2008 for Macintosh, version 12.2.9, Microsoft Corporation, 2007.
-
(2007)
Microsoft Excel 2008 for Macintosh
-
-
-
42
-
-
80051538527
-
-
(Accessed May 25
-
http://en.wikipedia.org/wiki/Statistical-hypothesis-testing (Accessed May 25, 2011.
-
(2011)
-
-
-
43
-
-
80051493919
-
-
(Accessed May 25)
-
http://en.wikipedia.org/wiki/Student's-t-distribution (Accessed May 25, 2011).
-
(2011)
-
-
-
44
-
-
33750870274
-
-
Chase, P. A.; Parvez, M.; Piers, W. E. Acta Crystallogr., Sect. E: Struct. Rep. Online 2006, E62, o5181-o5183
-
(2006)
Acta Crystallogr., Sect. E: Struct. Rep. Online
, vol.62
-
-
Chase, P.A.1
Parvez, M.2
Piers, W.E.3
-
45
-
-
60649114294
-
-
Welch, G. C.; Prieto, R.; Dureen, M. A.; Lough, A. J.; Labeodan, O. A.; Höltrichter-Rössmann, T.; Stephan, D. W. Dalton Trans. 2009, 1559-1570
-
(2009)
Dalton Trans.
, pp. 1559-1570
-
-
Welch, G.C.1
Prieto, R.2
Dureen, M.A.3
Lough, A.J.4
Labeodan, O.A.5
Höltrichter-Rössmann, T.6
Stephan, D.W.7
-
46
-
-
0003944545
-
-
A reviewer queried how this congestion was assessed, given that substitution solely at the 2-position did not lead to longer B-N/B-P bonds. This might cause one to conclude that H and F are isosteric when attached to a boron aryl. As the steric effect between boron and the aryl substituents is largely through space, we view the van der Waals radius as a reasonable indicator of steric size. For H and F, the vdW radii are 1.2 and 1.5 Å, respectively (; 4 th ed. HarperCollins: New York, p). It appears that borane can adjust the aryl rings to accommodate one fluorine at the 2-position but not two at the 2- and 6-positions
-
A reviewer queried how this congestion was assessed, given that substitution solely at the 2-position did not lead to longer B-N/B-P bonds. This might cause one to conclude that H and F are isosteric when attached to a boron aryl. As the steric effect between boron and the aryl substituents is largely through space, we view the van der Waals radius as a reasonable indicator of steric size. For H and F, the vdW radii are 1.2 and 1.5 Å, respectively (Huheey, J. E.; Keiter, E. A.; Keiter, R. L. Inorganic Chemistry: Principles of Structure and Reactivity, 4 th ed.; HarperCollins: New York, 1993; p 292). It appears that borane can adjust the aryl rings to accommodate one fluorine at the 2-position but not two at the 2- and 6-positions.
-
(1993)
Inorganic Chemistry: Principles of Structure and Reactivity
, pp. 292
-
-
Huheey, J.E.1
Keiter, E.A.2
Keiter, R.L.3
-
51
-
-
33750985304
-
-
Fujio, M.; McIver, R. T., Jr. ; Taft, R. W. J. Am. Chem. Soc. 1981, 103, 4017-4029
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 4017-4029
-
-
Fujio, M.1
McIver Jr., R.T.2
Taft, R.W.3
-
52
-
-
0003593463
-
-
In, Salahub, D. R. Russo, N. Kluwer Academic: Amsterdam
-
Ziegler, T. In Metal-Ligand Interactions: from Atoms, to Clusters, to Surfaces, Salahub, D. R.; Russo, N., Eds.; Kluwer Academic: Amsterdam, 1992; pp 367-396.
-
(1992)
Metal-Ligand Interactions: From Atoms, to Clusters, to Surfaces
, pp. 367-396
-
-
Ziegler, T.1
-
53
-
-
0001028072
-
-
Brauer, D. J.; Bürger, H.; Chebude, Y.; Pawelke, G. Inorg. Chem. 1999, 38, 3972-3977
-
(1999)
Inorg. Chem.
, vol.38
, pp. 3972-3977
-
-
Brauer, D.J.1
Bürger, H.2
Chebude, Y.3
Pawelke, G.4
-
54
-
-
0002397050
-
-
Ansorge, A.; Brauer, D. J.; Bürger, H.; Krumm, B.; Pawelke, G. J. Organomet. Chem. 1993, 446, 25-35
-
(1993)
J. Organomet. Chem.
, vol.446
, pp. 25-35
-
-
Ansorge, A.1
Brauer, D.J.2
Bürger, H.3
Krumm, B.4
Pawelke, G.5
-
55
-
-
0343680627
-
-
Brauer, D. J.; Bürger, H.; Dörrenbach, F.; Krumm, B.; Pawelke, G.; Weuter, W. J. Organomet. Chem. 1990, 385, 161-172
-
(1990)
J. Organomet. Chem.
, vol.385
, pp. 161-172
-
-
Brauer, D.J.1
Bürger, H.2
Dörrenbach, F.3
Krumm, B.4
Pawelke, G.5
Weuter, W.6
|