-
3
-
-
70349973935
-
-
Organoalkali Chemistry: M. Schlosser in Organometallics in Synthesis-A Manual (Ed.: M. Schlosser), Wiley, Chichester, 2004, pp. 1.
-
b) "Organoalkali Chemistry": M. Schlosser in Organometallics in Synthesis-A Manual (Ed.: M. Schlosser), Wiley, Chichester, 2004, pp. 1.
-
-
-
-
4
-
-
53849084489
-
-
For example, phenylpicolyl-based phosphanes: a
-
For example, phenylpicolyl-based phosphanes: a) I. Objartel, H. Ott, D. Stalke, Z. Anorg. Allg. Chem. 2008, 634, 2373;
-
(2008)
Z. Anorg. Allg. Chem
, vol.634
, pp. 2373
-
-
Objartel, I.1
Ott, H.2
Stalke, D.3
-
5
-
-
70349970318
-
-
A. Kermagoret, F... Tomicki, P. Braunstein, Dalton Trans. 2008, 22, 2901;
-
b) A. Kermagoret, F... Tomicki, P. Braunstein, Dalton Trans. 2008, 22, 2901;
-
-
-
-
8
-
-
37049071446
-
-
M. Alvarez, N. Lugan, R. Mathieu, J. Chem. Soc. Dalton Trans. 1994, 2755.
-
e) M. Alvarez, N. Lugan, R. Mathieu, J. Chem. Soc. Dalton Trans. 1994, 2755.
-
-
-
-
9
-
-
85022967624
-
-
O. F.. Beumel, W N. Smith, B. Rybalka, Synthesis 1974, 43.
-
O. F.. Beumel, W N. Smith, B. Rybalka, Synthesis 1974, 43.
-
-
-
-
10
-
-
70349974006
-
-
E. Weiss, Angew. Chem. 1993,105,1565; Angew. Chem. Int. Ed. Engl. 1993, 32, 1501.
-
E. Weiss, Angew. Chem. 1993,105,1565; Angew. Chem. Int. Ed. Engl. 1993, 32, 1501.
-
-
-
-
12
-
-
20144373889
-
-
C. Gatti, Z. Kristallogr. 2005, 220, 399;
-
b) C. Gatti, Z. Kristallogr. 2005, 220, 399;
-
-
-
-
16
-
-
37049112506
-
-
R. I. Papasergio, C. L. Raston, A. H. White, J. Chem. Soc. Chem. Commun. 1983, 1419.
-
R. I. Papasergio, C. L. Raston, A. H. White, J. Chem. Soc. Chem. Commun. 1983, 1419.
-
-
-
-
17
-
-
33845889241
-
-
F. M. Bickelhaupt, M. Solà, C. F.. Guerra, J. Chem. Theory Comput. 2006,2, 965;
-
(a) F. M. Bickelhaupt, M. Solà, C. F.. Guerra, J. Chem. Theory Comput. 2006,2, 965;
-
-
-
-
18
-
-
33646236113
-
-
E. Matito, J. Poater, F.. M. Bickelhaupt, M. Solà, J. Phys. Chem. B 2006, 110, 7189;
-
b) E. Matito, J. Poater, F.. M. Bickelhaupt, M. Solà, J. Phys. Chem. B 2006, 110, 7189;
-
-
-
-
19
-
-
44649150629
-
-
c) S. Deuerlein, D. Leusser, U. Flierler, H. Ott, D. Stalke, Organometallics 2008,27, 2306.
-
(2008)
Organometallics
, vol.27
, pp. 2306
-
-
Deuerlein, S.1
Leusser, D.2
Flierler, U.3
Ott, H.4
Stalke, D.5
-
20
-
-
0035929764
-
-
W Scherer, P. Sirsch, M. Grosche, M. Spiegler, S. A. Mason, M. G.. Gardiner, Chem. Commun. 2001, 2072;
-
(a) W Scherer, P. Sirsch, M. Grosche, M. Spiegler, S. A. Mason, M. G.. Gardiner, Chem. Commun. 2001, 2072;
-
-
-
-
21
-
-
0037123771
-
-
W Scherer, P. Sirsch, D. Shorokhov, G.. S. McGrady, S. A. Mason, M. G... Gardiner, Chem. Eur. J. 2002, 8, 2324.
-
b) W Scherer, P. Sirsch, D. Shorokhov, G.. S. McGrady, S. A. Mason, M. G... Gardiner, Chem. Eur. J. 2002, 8, 2324.
-
-
-
-
22
-
-
70349972898
-
-
Explicit values for each compound will be given in brackets if necessary
-
Explicit values for each compound will be given in brackets if necessary.
-
-
-
-
23
-
-
37049102940
-
-
D. Colgan, R. I. Papasergio, C. L. Raston, A. H. White, J. Chem. Soc. Chem. Commun. 1984, 1708;
-
(a) D. Colgan, R. I. Papasergio, C. L. Raston, A. H. White, J. Chem. Soc. Chem. Commun. 1984, 1708;
-
-
-
-
24
-
-
37049073300
-
-
R. I. Papasergio, B. W Skelton, P. Twiss, A. H. White, G.. L. Raston, J. Chem. Soc. Dalton Trans. 1990, 1161.
-
b) R. I. Papasergio, B. W Skelton, P. Twiss, A. H. White, G.. L. Raston, J. Chem. Soc. Dalton Trans. 1990, 1161.
-
-
-
-
25
-
-
0002271172
-
-
G.. Jones, G.. H. L. Kennard, C. L. Raston, G.. Smith, J. Organo- met. Chem. 1990, 396, C39.
-
G.. Jones, G.. H. L. Kennard, C. L. Raston, G.. Smith, J. Organo- met. Chem. 1990, 396, C39.
-
-
-
-
26
-
-
70349974514
-
-
quot;Lead structures in lithium organic chemistry: T.. Stey, D. Stalke in The Chemistry of Organolithium Compounds (Eds.: Z. Rappoport, I. Marek), Wiley, Chichester, 2004, p. 47.
-
quot;Lead structures in lithium organic chemistry": T.. Stey, D. Stalke in The Chemistry of Organolithium Compounds (Eds.: Z. Rappoport, I. Marek), Wiley, Chichester, 2004, p. 47.
-
-
-
-
27
-
-
0345491105
-
-
C Lee, W Yang, R. G.. Parr, Phys. Rev. B 1988, 37, 785;
-
(a) C Lee, W Yang, R. G.. Parr, Phys. Rev. B 1988, 37, 785;
-
-
-
-
28
-
-
0141509423
-
-
A. D. McLean, G... S. Chandler, J. Chem. Phys. 1980, 72, 5639;
-
b) A. D. McLean, G... S. Chandler, J. Chem. Phys. 1980, 72, 5639;
-
-
-
-
29
-
-
26844534384
-
-
R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, J. Chem. Phys. 1980, 72, 650.
-
c) R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, J. Chem. Phys. 1980, 72, 650.
-
-
-
-
32
-
-
70349972403
-
-
A. Volkov, P. Macchi, L. J. Farrugia, C Gatti, P. R. Mallinson, T.. Richter, T.. Koritsanszky, XD2006, A Computer Program Package for Multipole Refinement, Topological Analysis of Charge Densities and Evaluation of Intermolecular Energies from Experimental or Theoretical Structure Factors, 2006.
-
A. Volkov, P. Macchi, L. J. Farrugia, C Gatti, P. R. Mallinson, T.. Richter, T.. Koritsanszky, XD2006, A Computer Program Package for Multipole Refinement, Topological Analysis of Charge Densities and Evaluation of Intermolecular Energies from Experimental or Theoretical Structure Factors, 2006.
-
-
-
-
33
-
-
42449129264
-
-
3, fractal dimension: 2.70 (K. Meindl, J. Henn, Acta Crystallogr. Sect. A 2008, 64, 404). More details about the crystallographic data and the refinement can be found in the Supporting Information.
-
3, fractal dimension: 2.70 (K. Meindl, J. Henn, Acta Crystallogr. Sect. A 2008, 64, 404). More details about the crystallographic data and the refinement can be found in the Supporting Information.
-
-
-
-
34
-
-
0005355447
-
-
The bond path represents the line along maximum density between two bonded atoms with respect to any neighboring line. A bond critical point, 3,-1) critical point, saddle point in ρr, is a necessary and sufficient condition for a chemical bond according to R. F, W. Bader, J. Phys. Chem. A 1998,102, 7314
-
The bond path represents the line along maximum density between two bonded atoms with respect to any neighboring line. A bond critical point ((3,-1) critical point, saddle point in ρ(r)) is a necessary and sufficient condition for a chemical bond according to R. F... W. Bader, J. Phys. Chem. A 1998,102, 7314).
-
-
-
-
35
-
-
36148999410
-
-
Moreover, we found a bond critical point between the two picolyl anion nitrogen atoms, but on a very low density level. Similar examples of weak attractive interactions are known (recent N-N example: E. A. Zhurova, V. V. Zhurov, A. A. Pinkerton, J. Am. Chem. Soc. 2007,129, 13887) and should not be interpreted as classical chemical bonds. This phenomenon is currently under further investigation.
-
Moreover, we found a bond critical point between the two picolyl anion nitrogen atoms, but on a very low density level. Similar examples of weak attractive interactions are known (recent N-N example: E. A. Zhurova, V. V. Zhurov, A. A. Pinkerton, J. Am. Chem. Soc. 2007,129, 13887) and should not be interpreted as classical chemical bonds. This phenomenon is currently under further investigation.
-
-
-
-
36
-
-
33746425682
-
-
L. J. Farrugia, C Evans, M. Tegel, J. Phys. Chem. A 2006, 110, 7952.
-
L. J. Farrugia, C Evans, M. Tegel, J. Phys. Chem. A 2006, 110, 7952.
-
-
-
-
37
-
-
70349974465
-
-
Scherer et al. found in their substituted picolyllithium a bond path between the methylene carbon atom and lithium. This bond was 0.14 Ǻ shorter than the corresponding distance in PicLi (Ref. [11]).
-
Scherer et al. found in their substituted picolyllithium a bond path between the methylene carbon atom and lithium. This bond was 0.14 Ǻ shorter than the corresponding distance in PicLi (Ref. [11]).
-
-
-
-
38
-
-
70349974498
-
-
2 are the two eigenvalues of the Hessian perpendicular to the bond).
-
2 are the two eigenvalues of the Hessian perpendicular to the bond).
-
-
-
-
39
-
-
51749083024
-
-
H. Ott, C Däschlein, D. Leusser, D. Schildbach, T. Seibel, D. Stalke, C Strohmann, J. Am. Chem. Soc. 2008,130, 11901, and references therein.
-
H. Ott, C Däschlein, D. Leusser, D. Schildbach, T. Seibel, D. Stalke, C Strohmann, J. Am. Chem. Soc. 2008,130, 11901, and references therein.
-
-
-
-
41
-
-
70349972892
-
-
All given charges were determined by subtraction of the integrated charge density over atomic basins defined by the zero-flux surface (vp(r)n, 0, where n is the normal vector on the surface) from the atomic number
-
All given charges were determined by subtraction of the integrated charge density over atomic basins defined by the zero-flux surface (vp(r)n = 0, where n is the normal vector on the surface) from the atomic number.
-
-
-
-
42
-
-
70349972079
-
-
Valence shell charge concentrations are (3, 3) critical points (minima) in ∇2ρr
-
2ρ(r).
-
-
-
-
43
-
-
70349963019
-
-
2ρ(r) is extended towards Li', only a single VSCC pointing to Li is present.
-
2ρ(r) is extended towards Li', only a single VSCC pointing to Li is present.
-
-
-
-
44
-
-
4243131344
-
-
(a) N. Kocher, D. Leusser, A. Murso, D. Stalke, Chem. Eur. J. 2004,10, 3622;
-
(2004)
Chem. Eur. J
, vol.10
, pp. 3622
-
-
Kocher, N.1
Leusser, D.2
Murso, A.3
Stalke, D.4
-
45
-
-
9144259635
-
-
b) N. Kocher, C Selinka, D. Leusser, D. Kost, I. Kahlikhman, D. Stalke, Z. Anorg. Allg. Chem. 2004, 630, 1777.
-
(2004)
Z. Anorg. Allg. Chem
, vol.630
, pp. 1777
-
-
Kocher, N.1
Selinka, C.2
Leusser, D.3
Kost, D.4
Kahlikhman, I.5
Stalke, D.6
|