-
3
-
-
34548304450
-
-
M. Montag, L. Schwarlsburd, R. Cohen, G. Leitus, Y. Ben-David, J. M. L. Martin, D. Milstein, Angew. Chem. 2007, 119, 1933-1936;
-
(2007)
Angew. Chem
, vol.119
, pp. 1933-1936
-
-
Montag, M.1
Schwarlsburd, L.2
Cohen, R.3
Leitus, G.4
Ben-David, Y.5
Martin, J.M.L.6
Milstein, D.7
-
4
-
-
34250797906
-
-
Angew. Chem. Int. Ed. 2007, 46, 1901-1904.
-
(2007)
Angew. Chem. Int. Ed
, vol.46
, pp. 1901-1904
-
-
-
5
-
-
53849107107
-
-
CO is usually regarded as a strong π-accepting ligand and is therefore expected to inhibit processes that increase the formal oxidation state of the metal center, such as oxidative addition
-
CO is usually regarded as a strong π-accepting ligand and is therefore expected to inhibit processes that increase the formal oxidation state of the metal center, such as oxidative addition.
-
-
-
-
6
-
-
0000655540
-
-
Ligand 1, and various platinum and rhodium complexes thereof, has been previously reported by our group. For further details, see: a M. van der Boom, S.-Y. Liou, L. J. W. Shimon, Y. Ben-David, D. Milstein, Organometallics 1996, 15, 2562-2568;
-
Ligand 1, and various platinum and rhodium complexes thereof, has been previously reported by our group. For further details, see: a) M. van der Boom, S.-Y. Liou, L. J. W. Shimon, Y. Ben-David, D. Milstein, Organometallics 1996, 15, 2562-2568;
-
-
-
-
7
-
-
0001085123
-
-
b) M. van der Boom, J. Ott, D. Milstein, Organometallics 1998, 17, 4263-4266;
-
(1998)
Organometallics
, vol.17
, pp. 4263-4266
-
-
van der Boom, M.1
Ott, J.2
Milstein, D.3
-
8
-
-
36049041294
-
-
c) M. Montag, G. Leitus, L. J. W. Shimon, Y. Ben-David, D. Milstein, Chem. Eur. J. 2007, 13, 9043-9055.
-
(2007)
Chem. Eur. J
, vol.13
, pp. 9043-9055
-
-
Montag, M.1
Leitus, G.2
Shimon, L.J.W.3
Ben-David, Y.4
Milstein, D.5
-
9
-
-
33748788993
-
-
For examples of analogous frans-dicarbonyl bisphosphine complexes of rhodium, see: a G. K. N. Reddy, B. R. Ramesh, J. Organomet. Chem. 1974, 67, 443-447;
-
For examples of analogous frans-dicarbonyl bisphosphine complexes of rhodium, see: a) G. K. N. Reddy, B. R. Ramesh, J. Organomet. Chem. 1974, 67, 443-447;
-
-
-
-
10
-
-
0009976635
-
-
b) A. R. Sedle, R. A. Newmark, R. D. Howells, Inorg. Chem. 1988, 27, 2473-2478;
-
(1988)
Inorg. Chem
, vol.27
, pp. 2473-2478
-
-
Sedle, A.R.1
Newmark, R.A.2
Howells, R.D.3
-
11
-
-
0000827435
-
-
c) J. I. Dulebohn, S. C. Haefner, K. A. Berglund, K. R. Dunbar, Chem. Mater. 1992, 4 506-508;
-
(1992)
Chem. Mater
, vol.4
, pp. 506-508
-
-
Dulebohn, J.I.1
Haefner, S.C.2
Berglund, K.A.3
Dunbar, K.R.4
-
12
-
-
0000542088
-
-
d) E. Lindner, O. Wang, H. A. Mayer, R. Fawzi, M. Sleimann, Organometallics 1993, 12, 1865-1870;
-
(1993)
Organometallics
, vol.12
, pp. 1865-1870
-
-
Lindner, E.1
Wang, O.2
Mayer, H.A.3
Fawzi, R.4
Sleimann, M.5
-
13
-
-
0000525488
-
-
e) M. Alvarez, N. Lugan, B. Donnadieu, R. Mathieu, Organometallics 1995, 14, 365-370;
-
(1995)
Organometallics
, vol.14
, pp. 365-370
-
-
Alvarez, M.1
Lugan, N.2
Donnadieu, B.3
Mathieu, R.4
-
14
-
-
0000324617
-
-
E. T. Singewald, X. Shi, C. A. Mirkin, S. J. Schofer, C. L. Stern, Organometallics 1996, 15, 3062-3069; see also ref. [8].
-
f) E. T. Singewald, X. Shi, C. A. Mirkin, S. J. Schofer, C. L. Stern, Organometallics 1996, 15, 3062-3069; see also ref. [8].
-
-
-
-
15
-
-
53849137246
-
-
2 fragment (with R factor≤10%, but no other constraints). Of these structures, only 12 (3%) have a transoid configuration (165°≤ OC-Rh-CO≤180°), whereas the vast majority (355 structures, 96%) have a cisoid configuration (80°≤OC-Rh- CO<120°). For more information regarding CSD and the best representative polymorph list, see the Experimental Section.
-
2 fragment (with R factor≤10%, but no other constraints). Of these structures, only 12 (3%) have a transoid configuration (165°≤ OC-Rh-CO≤180°), whereas the vast majority (355 structures, 96%) have a cisoid configuration (80°≤OC-Rh- CO<120°). For more information regarding CSD and the best representative polymorph list, see the Experimental Section.
-
-
-
-
16
-
-
0000066609
-
-
1 complexes have been reported so far: for examples, see: a S. C. Haefner, K. R. Dunbar, C. Bender, J. Am. Chem. Soc. 1991, 113, 9540-9553;
-
1 complexes have been reported so far: for examples, see: a) S. C. Haefner, K. R. Dunbar, C. Bender, J. Am. Chem. Soc. 1991, 113, 9540-9553;
-
-
-
-
19
-
-
53849131621
-
-
2(θ/2), in which θ is the angle between the CO vectors. Such a high intensity ratio renders the symmetric band practically undetectable.
-
2(θ/2), in which θ is the angle between the CO vectors. Such a high intensity ratio renders the symmetric band practically undetectable.
-
-
-
-
20
-
-
53849147136
-
-
The best representative polymorph list of the CSD (v. 5.29) was found to contain a total of 24969 different transition melal-carbonyl structures with terminal CO ligands, for which the R factor≤10, The vast majority of these structures (24644, 99, have angles of 173°≤M-C-O≤180°, and only a minority (6395, 26, have angles of M-C-O<173°. Moreover, out of the 21311 transition metal-carbonyl structures that were found to contain M(CO)n (n ≥ 2) fragments, the vast majority (20556, 96, have a cisoid configuration (80°≤C-M-C ≤120°, whereas only a minority (5505, 27, have a transoid configuration (165°≤£C-M-C<180°, Note that because most of the complexes in the polymorph list contain more than one M(CO)n (n≥ 1) fragment, there is considerable overlap in the different populations mentioned above and thus the total cited percentages can exceed 100
-
n (n≥ 1) fragment, there is considerable overlap in the different populations mentioned above and thus the total cited percentages can exceed 100%.
-
-
-
-
21
-
-
53849126445
-
-
The best representative polymorph list of the CSD (v. 5.29) was found to contain a total of 1063 different rhodium-carbonyl structures with terminal CO ligands. for which the R factors 10%. The vast majority of these structures (1024, 96%) have angles of 173°≤Rh-C-O≤180°. and only 167 (16%) have angles of Rh-C-O< 173°. Note that the majority of the latter structures (122 out of 167, or 73%) are clusters in which the rhodium center is bound to another metal atom.
-
The best representative polymorph list of the CSD (v. 5.29) was found to contain a total of 1063 different rhodium-carbonyl structures with terminal CO ligands. for which the R factors 10%. The vast majority of these structures (1024, 96%) have angles of 173°≤Rh-C-O≤180°. and only 167 (16%) have angles of Rh-C-O< 173°. Note that the majority of the latter structures (122 out of 167, or 73%) are clusters in which the rhodium center is bound to another metal atom.
-
-
-
-
23
-
-
53849138647
-
-
K. P. Huber, G. Herzberg in Molecular Spectra and Molecular Structure, IV: Constants of Diatomic Molecules, Van Noslrand Reinhold, New York. 1979.
-
K. P. Huber, G. Herzberg in Molecular Spectra and Molecular Structure, Vol. IV: Constants of Diatomic Molecules, Van Noslrand Reinhold, New York. 1979.
-
-
-
-
24
-
-
53849095605
-
-
A short contact is defined as a nonbonding interatomic distance that is smaller than or equal to the sum of the van der Waals radii of the interacting atoms
-
A short contact is defined as a nonbonding interatomic distance that is smaller than or equal to the sum of the van der Waals radii of the interacting atoms.
-
-
-
-
25
-
-
34547363930
-
-
Anagostic interactions, which have also been dubbed preagostic or pregostic, span an M-H distance range of 2.3-2.9 Å. They are also characterized by an M-H-C angle range of 110-170°, into which the present case fits completely, with Rhl-H13b-C13= 153.9(14)° and Rhl-H29c-C29= 146.6(13)°. For a concise overview of anagostic interactions, see: M. Brookhart, M. L. H. Green, G. Parkin, Proc. Natl. Acad. Sci. USA 2007, 104, 6908-6914.
-
Anagostic interactions, which have also been dubbed " preagostic" or "pregostic", span an M-H distance range of 2.3-2.9 Å. They are also characterized by an M-H-C angle range of 110-170°, into which the present case fits completely, with Rhl-H13b-C13= 153.9(14)° and Rhl-H29c-C29= 146.6(13)°. For a concise overview of anagostic interactions, see: M. Brookhart, M. L. H. Green, G. Parkin, Proc. Natl. Acad. Sci. USA 2007, 104, 6908-6914.
-
-
-
-
26
-
-
0001094163
-
-
a) A. Albinati, C. G. Anklin, F. Ganazzoli, H. Rllegg, P. S. Pregosin, Inorg. Chem. 1987, 26, 503-508;
-
(1987)
Inorg. Chem
, vol.26
, pp. 503-508
-
-
Albinati, A.1
Anklin, C.G.2
Ganazzoli, F.3
Rllegg, H.4
Pregosin, P.S.5
-
27
-
-
0001674770
-
-
b) A. Albinati, C. Arz, P. S. Pregosin, Inorg. Chem. 1987, 26, 508-513;
-
(1987)
Inorg. Chem
, vol.26
, pp. 508-513
-
-
Albinati, A.1
Arz, C.2
Pregosin, P.S.3
-
28
-
-
0025270154
-
-
c) W. I. Sundquisl, D. P. Bancroft, S. J. Lippard, J. Am. Chem. Soc. 1990, 112, 1590-1596;
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 1590-1596
-
-
Sundquisl, W.I.1
Bancroft, D.P.2
Lippard, S.J.3
-
29
-
-
0000536433
-
-
d) M. Bortolin, U. Bucher, H. Reugger, L. M. Venanzi, A. Albinati, F. Lianza. Organometallics 1992, 11, 2514-2521;
-
(1992)
Organometallics
, vol.11
, pp. 2514-2521
-
-
Bortolin, M.1
Bucher, U.2
Reugger, H.3
Venanzi, L.M.4
Albinati, A.5
Lianza, F.6
-
30
-
-
0031589103
-
-
e) M. Cano, J. V. Heras, M. Maeso, M. Alvaro, R. Fernndez, E. Pinilla, J. A. Campo, A. Monge, J. Organomet. Chem. 1997, 534, 159-172;
-
(1997)
J. Organomet. Chem
, vol.534
, pp. 159-172
-
-
Cano, M.1
Heras, J.V.2
Maeso, M.3
Alvaro, M.4
Fernndez, R.5
Pinilla, E.6
Campo, J.A.7
Monge, A.8
-
31
-
-
33746623718
-
-
f) Y. Zhang, J. C. Lewis, R. G. Bergman, J. A. Ellman, E. Oldfield. Organometallics 2006, 25, 3515-3519.
-
(2006)
Organometallics
, vol.25
, pp. 3515-3519
-
-
Zhang, Y.1
Lewis, J.C.2
Bergman, R.G.3
Ellman, J.A.4
Oldfield, E.5
-
32
-
-
53849145270
-
-
3OD solvent being used as an internal standard. See the Experimental Section for more details.
-
3OD solvent being used as an internal standard. See the Experimental Section for more details.
-
-
-
-
33
-
-
53849123265
-
-
2P signal at 3.42 ppm was used as a reference). No significant H/D exchange was observed for the methyl groups para to the methylene bridge.
-
2P signal at 3.42 ppm was used as a reference). No significant H/D exchange was observed for the methyl groups para to the methylene bridge.
-
-
-
-
34
-
-
53849107740
-
-
1H NMR spectrum.
-
1H NMR spectrum.
-
-
-
-
35
-
-
53849131620
-
-
All bond lengths and angles in the two structures are statistically equivalent, that is, the differences in each value lies within the 6o (±3o) limit
-
All bond lengths and angles in the two structures are statistically equivalent, that is, the differences in each value lies within the 6o (±3o) limit.
-
-
-
-
37
-
-
53849110557
-
-
The distance between C29 and the metal center in syn-3 is 3.755(4) Å, which is not considered a short contact.
-
The distance between C29 and the metal center in syn-3 is 3.755(4) Å, which is not considered a short contact.
-
-
-
-
38
-
-
53849119102
-
-
The Rh-P bonds in syn-3 (RhI-P2=2.3498(9) Å, Rhl-P3 = 2.3548(8) Å) are slightly shorter than in antl-3 (Rhl-P2 = 2.3626( 10) Å, Rhl-P3 = 2.3699(11)Å).
-
The Rh-P bonds in syn-3 (RhI-P2=2.3498(9) Å, Rhl-P3 = 2.3548(8) Å) are slightly shorter than in antl-3 (Rhl-P2 = 2.3626( 10) Å, Rhl-P3 = 2.3699(11)Å).
-
-
-
-
39
-
-
53849084759
-
-
As far as the primary coordination sphere of rhodium is concerned, the calculated bond lengths for anti- and syn-4 are within 1.2% of the experimentally observed values for anti- and syn-3 (see Table 2). The calculated bond angles are within 3.5% of the experimental values, except for the Cl-Rh-C2 angle in syn-4, which has a calculated value of 148.84° and is almost 10% smaller than the analogous angle in syn-3 (164.70(11)°).
-
As far as the primary coordination sphere of rhodium is concerned, the calculated bond lengths for anti- and syn-4 are within 1.2% of the experimentally observed values for anti- and syn-3 (see Table 2). The calculated bond angles are within 3.5% of the experimental values, except for the Cl-Rh-C2 angle in syn-4, which has a calculated value of 148.84° and is almost 10% smaller than the analogous angle in syn-3 (164.70(11)°).
-
-
-
-
40
-
-
53849118071
-
-
The calculated values for the bond lengths associated with the anagostic interactions (Rh⋯H. Rh⋯C) are within 7.8% of the experimentally observed values (see Table 2).
-
The calculated values for the bond lengths associated with the anagostic interactions (Rh⋯H. Rh⋯C) are within 7.8% of the experimentally observed values (see Table 2).
-
-
-
-
41
-
-
53849085755
-
-
z!.
-
z!.
-
-
-
-
43
-
-
33845470570
-
-
R. Hoffmann, C. Minot, H. B. Grayl, J. Am. Chem. Soc. 1984, 106, 2001-2005.
-
(1984)
J. Am. Chem. Soc
, vol.106
, pp. 2001-2005
-
-
Hoffmann, R.1
Minot, C.2
Grayl, H.B.3
-
44
-
-
0000473005
-
-
a) M. Ogasawara, S. A. Macgregor, W. E. Slreib, K. Foiling, O. Eisenstein, K. G. Caullon, J. Am. Chem. Soc. 1995, 117, 8869-8870;
-
(1995)
J. Am. Chem. Soc
, vol.117
, pp. 8869-8870
-
-
Ogasawara, M.1
Macgregor, S.A.2
Slreib, W.E.3
Foiling, K.4
Eisenstein, O.5
Caullon, K.G.6
-
45
-
-
0029953390
-
-
b) M. Ogasawara, S. A. Macgregor, W. E. Streib, K. Folting, O. Eisenstein, K. G. Caullon, J. Am. Chem. Soc. 1996, 118, 10189-10199.
-
(1996)
J. Am. Chem. Soc
, vol.118
, pp. 10189-10199
-
-
Ogasawara, M.1
Macgregor, S.A.2
Streib, W.E.3
Folting, K.4
Eisenstein, O.5
Caullon, K.G.6
-
46
-
-
53849146298
-
-
This complex also exhibited bent Ru-C-O angles of 168.2(8) and 168.7(7)°
-
This complex also exhibited bent Ru-C-O angles of 168.2(8) and 168.7(7)°.
-
-
-
-
47
-
-
53849116415
-
-
0 system is attained by M-C-O bending, which reduces the o donation from CO to d., (see ref. [29]).
-
0 system is attained by M-C-O bending, which reduces the o donation from CO to d., (see ref. [29]).
-
-
-
-
49
-
-
53849144937
-
-
3 complex. If electrostatic interactions had been dominant in the C-H⋯Rh inleraction, then lhe Rh⋯H dislance would have been shorter in the more eleclron-rich system, contrary to the calculated results.
-
3 complex. If electrostatic interactions had been dominant in the C-H⋯Rh inleraction, then lhe Rh⋯H dislance would have been shorter in the more eleclron-rich system, contrary to the calculated results.
-
-
-
-
50
-
-
53849092648
-
-
The small energetic differences between the linear and bent structures (which are probably also associated with small energy barriers) and the labile C-H⋯Rh interactions lead to an inherently fluxional system that would be expected to exhibit averaged NMR signals
-
The small energetic differences between the linear and bent structures (which are probably also associated with small energy barriers) and the labile C-H⋯Rh interactions lead to an inherently fluxional system that would be expected to exhibit averaged NMR signals.
-
-
-
-
51
-
-
53849086441
-
-
The shortest distance between the rhodium center and an arene CH bond in the crystal structure of 6 is Rhl-H6 = Rhl-H6a = 3.13(3) Å.
-
The shortest distance between the rhodium center and an arene CH bond in the crystal structure of 6 is Rhl-H6 = Rhl-H6a = 3.13(3) Å.
-
-
-
-
52
-
-
53849120496
-
-
The linearity of the Cl-RhI-CIa and P2-Rhl-P2a angles in 6 is dictated by its C, symmetry, that is, the fact that the center of inversion is located at the rhodium atom. Since Cl and CIa are symmetry-re lated. as are P2 and P2a, the error estimates for the above angles are equal to zero.
-
The linearity of the Cl-RhI-CIa and P2-Rhl-P2a angles in 6 is dictated by its C, symmetry, that is, the fact that the center of inversion is located at the rhodium atom. Since Cl and CIa are symmetry-re lated. as are P2 and P2a, the error estimates for the above angles are equal to zero.
-
-
-
-
53
-
-
53849093001
-
-
3OD. However, the fact that 6 reacted with CO to afford 7 completely prevented us from using this H/D exchange technique for 6.
-
3OD. However, the fact that 6 reacted with CO to afford 7 completely prevented us from using this H/D exchange technique for 6.
-
-
-
-
54
-
-
0038630566
-
-
For examples of complexes of the type [Rh(CO)3(phosphine) 2, see: refs, 6f] and [8b, and F. M. Dixon, M. S. Masar 111, P. E. Doan, J. R. Farrell, F. P. Arnold, Jr, C. A. Mirkin, C. D. Incarvito, L. N. Zakharov, A. L. Rheingold, Inorg. Chem. 2003, 42, 3245-3255
-
+, see: refs. [6f] and [8b]. and F. M. Dixon, M. S. Masar 111, P. E. Doan, J. R. Farrell, F. P. Arnold, Jr., C. A. Mirkin, C. D. Incarvito, L. N. Zakharov, A. L. Rheingold, Inorg. Chem. 2003, 42, 3245-3255.
-
-
-
-
55
-
-
53849134068
-
-
13CO-labeled 7, was found to contain only labeled CO. Because complex 6 is known to be stable under vacuum, it is likely that the replacement of CO ligands in 7 has occurred through dissociation of CO directly from 7, rather than from 6.
-
13CO-labeled 7, was found to contain only labeled CO. Because complex 6 is known to be stable under vacuum, it is likely that the replacement of CO ligands in 7 has occurred through dissociation of CO directly from 7, rather than from 6.
-
-
-
-
59
-
-
53849095078
-
-
Cambridge Crystallography Data Centre, 12 Union Road, Cambridge, England.
-
Cambridge Crystallography Data Centre, 12 Union Road, Cambridge, England.
-
-
-
-
61
-
-
0000016277
-
-
I. J. Bruno, J. C. Cole, P. R. Edgington, M. Kessler, C. F. Macrae, P. McCabe, J. Pearson, R. Taylor, Acta Crystallogr. Sect. B 2002, 58, 389-397.
-
(2002)
Acta Crystallogr. Sect. B
, vol.58
, pp. 389-397
-
-
Bruno, I.J.1
Cole, J.C.2
Edgington, P.R.3
Kessler, M.4
Macrae, C.F.5
McCabe, P.6
Pearson, J.7
Taylor, R.8
-
64
-
-
33744498094
-
-
C. F. Macrae, P. R. Edgington, P. McCabe, E. Pidcock, G. P. Shields, R. Taylor, M. Towler, J. van de Streek, J. Appl. Crystallogr. 2006, 39, 453-457.
-
(2006)
J. Appl. Crystallogr
, vol.39
, pp. 453-457
-
-
Macrae, C.F.1
Edgington, P.R.2
McCabe, P.3
Pidcock, E.4
Shields, G.P.5
Taylor, R.6
Towler, M.7
van de Streek, J.8
-
67
-
-
53849137245
-
-
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