Probing the structure of methylalumoxane (MAO) by a combined chemical, spectroscopic, neutron scattering, and computational approach

Organometallics

Volumn 32, Issue 11, 2013, Pages 3354-3362

  Ghiotto, Fabio ^a   Pateraki, Chrysoula ^a   Tanskanen, Jukka ^b   Severn, John R ^c   Luehmann, Nicole ^d   Kusmin, André ^d   Stellbrink, Jörg ^d   Linnolahti, Mikko ^b   Bochmann, Manfred ^a  

^a UNIVERSITY OF EAST ANGLIA   (United Kingdom)

^b UNIVERSITY OF EASTERN FINLAND   (Finland)

^c DSM RESOLVE   (Netherlands)

^d FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVATION; COMPUTATIONAL APPROACH; FOUR-MEMBERED RINGS; HYDRODYNAMIC RADIUS; PULSED FIELD GRADIENT SPIN ECHOS; QUANTUM CHEMICAL CALCULATIONS; SINGLE-SITE CATALYSTS; SMALL-ANGLE NEUTRON SCATTERING;

ALUMINUM; CATALYSTS; COMPLEXATION; COMPUTATIONAL METHODS; NEUTRON SCATTERING; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; O RINGS; POSITIVE IONS; PYRIDINE; QUANTUM CHEMISTRY;

POLYMERS;

EID: 84878820220     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om4002878     Document Type: Article

References (81)

1. Sinn, H. Macromol. Symp. 1995, 97, 27
2. Kaminsky, W. Macromol. Symp. 1995, 97, 79
3. Sinn, H.; Kaminsky, W.; Vollmer, H. J.; Woldt, R. Angew. Chem., Int. Ed. Engl. 1980, 19, 390
4. Sinn, H.; Kaminsky, W. Adv. Organomet. Chem. 1980, 18, 99
5. Severn, J. R. In Tailor-Made Polymers. Via Immobilization of Alpha-Olefin Polymerization Catalysts; Wiley-VCH: Weinheim, Germany, 2008, p 95.
6. Babushkin, D. E.; Semikolenova, N. V.; Panchenko, V. N.; Sobolev, A. P.; Zakharov, V. A.; Talsi, E. P. Macromol. Chem. Phys. 1997, 198, 3845
7. Tritto, I.; Sacchi, M. C.; Locatelli, P.; Li, S. X. Macromol. Chem. Phys. 1996, 197, 1537
8. Tritto, I.; Mealares, C.; Sacchi, M. C.; Locatelli, P. Macromol. Chem. Phys. 1997, 198, 3963
9. Smith, G. M.; Malpass, D. B.; Bernstein, S. N.; Jones, P. D.; Monfiston, D. J.; Rogers, J.; Su, B. M.; Palmaka, S. W.; Tirendi, C. F.; Crapo, C. C.; Deavenport, D. L.; Hodges, J. T.; Ngo, R. H.; Post, C. W.; Rabbitt, C. S. Proc. Polyolefins X-10th Internat. Conf. Polyolefins 1997, 49
10. Tritto, I.; Li, S. X.; Sacchi, M. C.; Locatelli, P.; Zannoni, G. Macromolecules 1995, 28, 5358
11. Tritto, I.; Donetti, R.; Sacchi, M. C.; Locatelli, P.; Zannoni, G. Macromolecules 1997, 30, 1247
12. Babushkin, D. E.; Semikolenova, N. V.; Zakharov, V. A.; Talsi, E. P. Macromol. Chem. Phys. 2000, 201, 558
13. Bryliakov, K. P.; Semikolenova, N. V.; Yudaev, D. V.; Ystenes, M.; Rytter, E.; Zakharov, V. A.; Talsi, E. P. Macromol. Chem. Phys. 2003, 204, 1110
14. Bryliakov, K. P.; Semikolenova, N. V.; Yudaev, D. V.; Zakharov, V. A.; Brintzinger, H. H.; Ystenes, M.; Rytter, E.; Talsi, E. P. J. Organomet. Chem. 2003, 683, 92
15. Wieser, U.; Schaper, F.; Brintzinger, H. H. Macromol. Symp. 2006, 236, 63
16. Babushkin, D. E.; Naundorf, C.; Brintzinger, H. H. Dalton Trans. 2006, 4539
17. Babushkin, D. E.; Brintzinger, H. H. J. Am. Chem. Soc. 2002, 124, 12869
18. Bryliakov, K. P.; Semikolenova, N. V.; Panchenko, V. N.; Zakharov, V. A.; Brintzinger, H. H.; Talsi, E. P. Macromol. Chem. Phys. 2006, 207, 327
19. Babushkin, D. E.; Brintzinger, H. H. Chem. Eur. J. 2007, 13, 5294
20. Bryliakov, K. P.; Talsi, E. P.; Voskoboynikov, A. Z.; Lancaster, S. J.; Bochmann, M. Organometallics 2008, 27, 6333
21. Kleinschmidt, R.; van der Leek, Y.; Reffke, M.; Fink, G. J. Mol. Catal. A: Chem. 1999, 148, 29
22. Jüngling, S.; Mülhaupt, R. J. Organomet. Chem. 1995, 497, 27
23. Reddy, S. S.; Radhakrishnan, K.; Sivaram, S. Polym. Bull. (Berlin) 1996, 36, 165
24. Matsui, S.; Mitani, M.; Saito, J.; Tohi, Y.; Makio, H.; Matsukawa, N.; Takagi, Y.; Tsuru, K.; Nitabaru, M.; Nakano, T.; Tanaka, H.; Kashiwa, N.; Fujita, T. J. Am. Chem. Soc. 2001, 123, 6847
25. See for example: Quevedo-Sanchez, B.; Nimmons, J. F.; Coughlin, E. B.; Henson, M. A. Macromolecules 2006, 39, 4306
26. Pasynkiewicz, S. Polyhedron 1990, 9, 429
27. Panchenko, V. N.; Zakharov, V. A.; Danilova, I. G.; Paukshtis, E. A.; Zakharov, I. I.; Goncharov, V. G.; Suknev, A. P. J. Mol. Catal. A: Chem. 2001, 174, 107
28. Zakharov, V. A.; Zakharov, I. I.; Panchenko, V. N. In Organometallic Catalysts and Olefin Polymerization; Springer: Berlin, 2001; pp 63-71.
29. Talsi, E. P.; Semikolenova, N. V.; Panchenko, V. N.; Sobolev, A. P.; Babushkin, D. E.; Shubin, A. A.; Zakharov, V. A. J. Mol. Catal. A: Chem. 1999, 139, 131
30. Pedeutour, J. N.; Radhakrishnan, K.; Cramail, H.; Deffieux, A. Macromol. Rapid Commun. 2001, 22, 1095
31. Zurek, E.; Ziegler, T. Prog. Polym. Sci. 2004, 29, 107
32. Zurek, E.; Ziegler, T. Inorg. Chem. 2001, 40, 3279
33. Glaser, R.; Sun, X. J. Am. Chem. Soc. 2011, 133, 13323
34. van Rensburg, W. J.; van den Berg, J. A.; Steynberg, P. J. Organometallics 2007, 26, 1000
35. Ystenes, M.; Eilertsen, J. L.; Liu, J. K.; Ott, M.; Rytter, E.; Stovneng, J. A. J. Polym. Sci., Part A: Polym. Chem. 2000, 38, 3106
36. Zakharov, I. I.; Zakharov, V. A.; Potapov, A. G.; Zhidomirov, G. M. Macromol. Theory Simul. 1999, 8, 272
37. Linnolahti, M.; Severn, J. R.; Pakkanen, T. A. Angew. Chem., Int. Ed. 2008, 47, 9279
38. Hansen, E. W.; Blom, R.; Kvernberg, P. O. Macromol. Chem. Phys. 2001, 202, 2880
39. Imhoff, D. W.; Simeral, L. S.; Sangokoya, S. A.; Peel, J. H. Organometallics 1998, 17, 1941
40. For an early example of this structural type see: Atwood, J. L.; Hrncir, D. C.; Priester, R. D.; Rogers, R. D. Organometallics 1983, 2, 985
41. Harlan, C. J.; Bott, S. G.; Barron, A. R. J. Am. Chem. Soc. 1995, 117, 6465
42. Mason, M. R.; Smith, J. M.; Bott, S. G.; Barron, A. R. J. Am. Chem. Soc. 1993, 115, 4971
43. Harlan, C. J.; Mason, M. R.; Barron, A. R. Organometallics 1994, 13, 2957
44. Watanabi, M.; McMahon, C. N.; Harlan, C. J.; Barron, A. R. Organometallics 2001, 20, 460
45. Ghiotto, F.; Pateraki, C.; Severn, J. R.; Friederichs, N.; Bochmann, M. Dalton Trans. 2013, 10.1039/C3DT00107E
46. Bochmann, M.; Lancaster, S. J. Angew. Chem., Int. Ed. Engl. 1994, 33, 1634
47. Bochmann, M.; Lancaster, S. J. J. Organomet. Chem. 1995, 497, 55
48. Wu, Q.; Ye, Z.; Gao, Q. H.; Lin, S. G. Macromol. Chem. Phys. 1998, 199, 1715
49. Reddy, S. S.; Sivaram, S. Prog. Polym. Sci. 1995, 20, 309
50. Reddy, S. S.; Shashidhar, G.; Sivaram, S. Macromolecules 1993, 26, 1180
51. Chien, J. C. W.; Wang, B.-P. J. Polym. Sci., Part A: Polym. Chem. 1988, 26, 3089
52. Tynys, A.; Eilertsen, J. L.; Seppala, J. V.; Rytter, E. J. Polym. Sci., Part A: Polym. Chem. 2007, 45, 1364
53. Busico, V.; Cipullo, R.; Cutillo, F.; Friederichs, N.; Ronca, S.; Wang, B. J. Am. Chem. Soc. 2003, 125, 12402
54. Turunen, J. P. J.; Pakkanen, T. T. J. Appl. Polym. Sci. 2006, 100, 4632
55. Jordon, D. E. Anal. Chem. 1968, 40, 2150
56. Resconi, L.; Bossi, S.; Abis, L. Macromolecules 1990, 23, 4489
57. Barron, A. R. Organometallics 1995, 14, 3581
58. Eilertsen, J. L.; Rytter, E.; Ystenes, M. Vib. Spectrosc. 2000, 24, 257
59. Bliemeister, J.; Hagendorf, W.; Harder, A.; Heitmann, B.; Schimmel, I.; Schmedt, E.; Schnuchel, W.; Sinn, H.; Tikwe, L.; Vonthienen, N.; Urlass, K.; Winter, H.; Zarncke, O. In Ziegler Catalysts: Recent Scientific Innovations and Technological Improvements; Springer: Heidelberg, Germany, 1995; pp 57-82.
60. Luo, L.; Sangokoya, S. A.; Wu, X.; Diefenbach, S. P.; Kneale, B. U.S. Pat. Appl. 2009/0062492 A1 (2009, Albemarle Corp.).
61. ]+, and correlates the concentration of this species and of TMA with the composition and molecular weights of the ethylene copolymers: Crowther, D. J.; Fiscus, D. M. PCT Int. Appl. WO2012/096698 (2012, Exxon Mobil).
62. Klosin, J.; Roof, G. R.; Chen, E. Y.-X. Organometallics 2000, 19, 4684
63. Klosin, J. PCT Int. Appl. WO2000/11006 (2000, Dow Chemical Co.).
64. Chen, E. Y.-X.; Kruper, W. J.; PCT Int. Appl. WO 2001/5642 (2001, Dow Chemical Co.).
65. Bochmann, M.; Sarsfield, M. J. Organometallics 1998, 17, 5908
66. Yamashita, Y.; Kasahara, H.; Suyama, K.; Okada, M. Makromol. Chem. 1968, 117, 242
67. Rocchigiani, L.; Busico, V.; Pastore, A.; Macchioni, A. Dalton Trans. 2013, 10.1039/C3DT00041A
68. Kärger, J.; Pfeifer, H.; Heink, W. In Advances in Magnetic Resonance; Waugh, J., Ed.; Academic Press: New York, 1988; Vol. 12, pp 1-89.
69. Macchioni, A.; Ciancaleoni, G.; Zuccaccia, C.; Zuccaccia, D. Chem. Soc. Rev. 2008, 37, 479
70. Müller, J. J. J. Appl. Crystallogr. 1983, 16, 74
71. Kusmin, A.; Lechner, R. E.; Kammel, M.; Saenger, W. J. Phys. Chem. B 2008, 112, 12888
72. Linnolahti, M.; Laine, A.; Pakkanen, T. A. Chem. Eur. J. 2013, 19, 7133
73. Hattig, C. J. Chem. Phys. 2003, 118, 7751
74. Weigend, F.; Haser, M.; Patzelt, H.; Ahlrichs, R. Chem. Phys. Lett. 1998, 294, 143
75. Hattig, C.; Hellweg, A.; Kohn, A. Phys. Chem. Chem. Phys. 2006, 8, 1159
76. Hattig, C.; Weigend, F. J. Chem. Phys. 2000, 113, 5154
77. Schäfer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phys. 1994, 100, 5829
78. TURBOMOLE V6.3 2011, a Development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.Turbomole.Com.
79. Frisch, M. J., Gaussian 09, Revision A.02; Gaussian, Inc., Wallingford, CT, 2009.
80. Zhao, Y.; Truhlar, D. G. Theor. Chem. Acc. 2008, 120, 215
81. Schäfer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571