Chromium catalysts for ethylene polymerization and oligomerization

Advances in Chemical Engineering

Volumn 44, Issue , 2014, Pages 127-191

  Liu, Zhen ^a   He, Xuelian ^a   Cheng, Ruihua ^a   Eisen, Moris S ^b   Terano, Minoru ^c   Scott, Susannah L ^d   Liu, Boping ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

^c JAPAN ADVANCED INSTITUTE OF SCIENCE AND TECHNOLOGY   (Japan)

^d University of California   (United States)

Author keywords

Ethylene polymerization; Ethylene trimerization; Molecular modeling; Phillips chromium catalyst; Polyethylene; Polyethylene based nanocomposite

Indexed keywords

EID: 84891074348     PISSN: 00652377     EISSN: None     Source Type: Book Series    
DOI: 10.1016/B978-0-12-419974-3.00003-8     Document Type: Chapter

References (199)

1. Abbenhuis H.C.L., Vorstenbosch M.L.W., van Santen R.A., Smeets W.J.J., Spek A.L. A 12-membered inorganic heterocycle: synthesis and structural characterization of a bimetallic chromium(VI) siloxane complex. Inorg Chem 1997, 36(27):6431-6433.
2. Agapie T. Selective ethylene oligomerization: recent advances in chromium catalysis and mechanistic investigations. Coord Chem Rev 2011, 255(7-8):861-880.
3. Agapie T., Schofer S.J., Labinger J.A., Bercaw J.E. Mechanistic studies of the ethylene trimerization reaction with chromium-diphosphine catalysts: experimental evidence for a mechanism involving metallacyclic intermediates. J Am Chem Soc 2004, 126(5):1304-1305.
4. Agapie T., Labinger J.A., Bercaw J.E. Mechanistic studies of olefin and alkyne trimerization with chromium catalysts: deuterium labeling and studies of regiochemistry using a model chromacyclopentane complex. J Am Chem Soc 2007, 129(46):14281-14295.
5. Agenet N., Gandon V., Vollhardt K.P.C., Malacria M., Aubert C. Cobalt-catalyzed cyclotrimerization of alkynes: the answer to the puzzle of parallel reaction pathways. J Am Chem Soc 2007, 129(28):8860-8871.
6. 2/Si(100) surface: a reflection extended X-ray absorption fine structure study down to the submonolayer regime. J Phys Chem C 2007, 111(44):16437-16444.
7. Ajjou J.A.N., Scott S.L. Reactions of tetraalkylchromium(IV) with silica: mechanism of grafting and characterization of surface organometallic complexes. Organometallics 1997, 16(1):86-92.
8. Ajjou J.A.N., Scott S.L. A kinetic study of ethylene and 1-hexene homo- and copolymerization catalyzed by a silica-supported Cr(IV) complex: evidence for propagation by a migratory insertion mechanism. J Am Chem Soc 2000, 122(37):8968-8976.
9. Ajjou J.A.N., Scott S.L., Paquet V. Synthesis and characterization of silica-stabilized chromium(IV) alkylidene complexes. J Am Chem Soc 1998, 120(2):415-416.
10. Ajjou J.A.N., Rice G.L., Scott S.L. Kinetics and mechanisms of thermally induced alkane eliminations from silica-supported bis(alkyl)chromium(IV) and -vanadium(IV) complexes. J Am Chem Soc 1998, 120(51):13436-13443.
11. Albahily K., Fomitcheva V., Gambarotta S., et al. Preparation and characterization of a reduced chromium complex via vinyl oxidative coupling: formation of a self-activating catalyst for selective ethylene trimerization. J Am Chem Soc 2011, 133(16):6380-6387.
12. Albahily K., Shaikh Y., Sebastiao E., et al. Vinyl oxidative coupling as a synthetic route to catalytically active monovalent chromium. J Am Chem Soc 2011, 133(16):6388-6395.
13. Aubriet F., Muller J.F., Poleunis C., et al. Activation processes and polyethylene formation on a Phillips model catalyst studied by laser ablation, laser desorption, and static secondary ion mass spectrometry. J Am Soc Mass Spectrom 2006, 17(3):406-414.
14. Augustine S.M., Blitz J.P. A proposed mechanism for silica supported chromium HDPE catalyst activation. J Catal 1996, 161(2):641-650.
15. Baker L.M., Carrick W.L. Oxidation of olefins by supported chromium oxide. J Org Chem 1968, 33(2):616-618.
16. Baker L.M., Carrick W.L. Bistriphenylsilyl chromate. Oxidation of olefins and use in ethylene polymerization. J Org Chem 1970, 35(3):774-776.
17. 4-modified Phillips catalyst: detection of in situ produced alpha-olefins by operando FTIR spectroscopy. Phys Chem Chem Phys 2012, 14(7):2239-2245.
18. 2 with CO. In situ FTIR spectroscopic study. J Chem Soc Faraday Trans 1997, 93(22):4065-4069.
19. Best S.A., Squires R.G., Walton R.A. The X-ray photoelectron spectra of heterogeneous catalysts. II. The chromia-silica catalyst system. J Catal 1977, 47(3):292-299.
20. Bhaduri S., Mukhopadhyay S., Kulkarni S.A. Density functional studies on chromium catalyzed ethylene trimerization. J Organomet Chem 2009, 694(9-10):1297-1307.
21. Blok A.N.J., Budzelaar P.H.M., Gal A.W. Mechanism of ethene trimerization at an ansa-(arene)(cyclopentadienyl) titanium fragment. Organometallics 2003, 22(13):2564-2570.
22. Blom B., Klatt G., Fletcher J.C.Q., Moss J.R. Computational investigation of ethene trimerization catalyzed by cyclopentadienyl chromium complexes. Inorg Chim Acta 2007, 360(9):2890-2896.
23. Bollmann A., Blann K., Dixon J.T., et al. Ethylene tetramerization: a new route to produce 1-octene in exceptionally high selectivities. J Am Chem Soc 2004, 126(45):14712-14713.
24. Bordiga S., Groppo E., Agostini G., van Bokhoven J.A., Lamberti C. Reactivity of surface species in heterogeneous catalysts probed by in situ X-ray absorption techniques. Chem Rev 2013, 113(3):1736-1850.
25. Briggs J.R. The selective trimerization of ethylene to hex-l-ene. J Chem Soc Chem Commun 1989, 11:674-675.
26. Budzelaar P.H.M. Ethene trimerization at CrI/CrIII-a density functional theory (DFT) study. Can J Chem 2009, 87(7):832-837.
27. x catalysts for ethylene polymerization. J Mol Catal A Chem 2010, 321(1-2):50-60.
28. Carrick W.L., Turbett R.J., Karol F.J., et al. Ethylene polymerization with supported bis(triphenylsilyl) chromate catalysts. J Polym Sci A Polym Chem 1972, 10(9):2609-2620.
29. 2 catalysts. J Catal 2010, 273(2):103-115.
30. Cheng R., Liu Z., Zhong L., et al. Phillips Cr/silica catalyst for ethylene polymerization. Adv Polym Sci 2013, 10.1007/12_2013_222.
31. Choi K.Y., Tang S. Polymerization rate modeling of ethylene polymerization with supported chromium oxide catalysts. J Appl Polym Sci 2004, 91(5):2923-2927.
32. Choi K.Y., Tang S., Yoon W.J. Modeling of ethylene polymerization kinetics over supported chromium oxide catalysts. Macromol Theory Simul 2004, 13(2):169-177.
33. x)/silica catalysts by photoelectron spectroscopy (XPS), X-ray and optical measurements. J Catal 1976, 45(3):316-325.
34. Cimino A., Cordischi D., de Rossi S., et al. Studies on chromia/zirconia catalysts. II. ESR of chromium species. J Catal 1991, 127(2):761-776.
35. Cimino A., Cordischi D., de Rossi S., et al. Studies on chromia/zirconia catalysts. I. Preparation and characterization of the system. J Catal 1991, 127(2):744-760.
36. Clark A., Hogan J.P., Witt D.R., Lanning W.C. The polymerization of acetylene and homologs. Proc World Pet Congr 1959, 4:267-273.
37. Cossee P. Ziegler-Natta catalysis. I. Mechanism of polymerization of alpha-olefins with Ziegler-Natta catalysts. J Catal 1964, 3(1):80-88.
38. Damin A., Bonino F., Bordiga S., et al. Vibrational properties of Cr-II Centers on reduced Phillips catalysts highlighted by resonant Raman spectroscopy. ChemPhysChem 2006, 7(2):342-344.
39. 2 adsorption at Cr surface species of Phillips catalyst by hybrid density functionals: effect of Hartree-Fock exchange percentage. J Phys Chem A 2009, 113(52):14261-14269.
40. de Bruin T.J.M., Magna L., Raybaud P., Toulhoat H. Hemilabile ligand induced selectivity: a DFT study on ethylene trimerization catalyzed by titanium complexes. Organometallics 2003, 22(17):3404-3413.
41. de Bruin T.J.M., Raybaud P., Toulhoat H. A DFT chemical descriptor to predict the selectivity in α-olefins in the catalytic metallacyclic oligomerization reaction of ethylene according to the (hemi)labile ligand coordinating to titanium. Organometallics 2008, 27(19):4864-4872.
42. Deckers P.J.W., Hessen B., Teuben J.H. Switching a catalyst system from ethene polymerization to ethene trimerization with a hemilabile ancillary ligand. Angew Chem Int Ed 2001, 40(13):2516-2519.
43. Deckers P.J.W., Hessen B., Teuben J.H. Catalytic trimerization of ethene with highly active cyclopentadienyl-arene titanium catalysts. Organometallics 2002, 21(23):5122-5135.
44. 2 onto silica. J Phys Chem C 2008, 112(16):6439-6449.
45. 2) polymerization catalysts. J Catal 2009, 262(1):44-56.
46. Deslauriers P.J., McDaniel M.P. Short chain branching profiles in polyethylene from the Phillips Cr/silica catalyst. J Polym Sci A Polym Chem 2007, 45(15):3135-3149.
47. Deslauriers P.J., McDaniel M.P., Rohlfing D.C., et al. A comparative study of multimodal vs. bimodal polyethylene pipe resins for PE-100 applications. Polym Eng Sci 2005, 45(9):1203-1213.
48. Dines T.J., Inglis S. Raman spectroscopic study of supported chromium(VI) oxide catalysts. Phys Chem Chem Phys 2003, 5(6):1320-1328.
49. Dixon J.T., Green M.J., Hess F.M., Morgan D.H. Advances in selective ethylene trimerization-a critical overview. J Organomet Chem 2004, 689(23):3641-3668.
50. Ellison A., Overton T.L. Characterization of Cr/silica catalysts. Part 2. Ti- and Mg-modified catalysts. J Chem Soc Faraday Trans 1993, 89(24):4393-4395.
51. Ellison A., Diakun G., Worthington P. EXAFS-XANES studies of rhenium oxide-alumina and chromium oxide-silica catalysts. J Mol Catal 1988, 46(1-3):131-149.
52. Ellison A., Overton T.L., Bencze L. Characterization of chromium-silica polymerization catalysts. J Chem Soc Faraday Trans 1993, 89(5):843-849.
53. Emrich R., Heinemann O., Jolly P.W., Krueger C., Verhovnik G.P.J. The role of metallacycles in the Cr-catalyzed trimerization of ethylene. Organometallics 1997, 16(8):1511-1513.
54. Espelid Ø., Børve K.J. Theoretical models of ethylene polymerization over a mononuclear chromium(II)/silica site. J Catal 2000, 195(1):125-139.
55. Espelid Ø., Børve K.J. Theoretical analysis of d-d transitions for the reduced Cr/silica system. Catal Lett 2001, 75(1-2):49-54.
56. Espelid Ø., Børve K.J. Theoretical analysis of CO adsorption on the reduced Cr/silica system. J Catal 2002, 205(1):177-190.
57. Espelid Ø., Bøtrve K.J. Molecular-level insight into Cr/silica Phillips-type catalysts: polymerization-active dinuclear chromium sites. J Catal 2002, 206(2):331-338.
58. Espelid Ø., Bøtrve K.J. Molecular-level insight into Cr/silica Phillips-type catalysts: polymerization-active mononuclear chromium sites. J Catal 2002, 205(2):366-374.
59. Failla M.D., Lucas J.C., Mandelkern L. Supermolecular structure of random copolymers of ethylene. Macromolecules 1994, 27(6):1334-1337.
60. Fan Y., Xue Y., Nie W., Ji X., Bo S. Characterization of the microstructure of bimodal HDPE resin. Polym J 2009, 41(8):622-628.
61. 2 catalysts isothermally calcined at various temperatures, probed by high resolution X-ray photoelectron spectroscopy. Appl Catal A Gen 2005, 279(1-2):131-138.
62. 2 catalyst in the presence of Al-alkyl cocatalyst. J Polym Sci A Polym Chem 2005, 43(19):4632-4641.
63. Fang Y., Liu B., Terano M. Various activation procedures of Phillips catalyst for ethylene polymerization. Kinet Catal 2006, 47(2):295-302.
64. Feher F.J., Blanski R.L. Polyhedral oligometallasilasesquioxanes as models for silica-supported catalysts: chromium attached to two vicinal siloxy groups. J Chem Soc Chem Commun 1990, 22:1614-1616.
65. Feher F.J., Blanski R.L. Polyhedral oligometallosilsesquioxanes as models for silica-supported catalysts. Macromol Symp 1993, 66(1):95-107.
66. Field E., Feller M. Promoted molybdena-alumina catalysts in ethylene polymerization. Ind Eng Chem 1957, 49(11):1883-1884.
67. Galli P., Vecellio G. Polyolefins: the most promising large-volume materials for the 21st century. J Polym Sci A Polym Chem 2004, 42(3):396-415.
68. Gandon V., Agenet N., Vollhardt K.P.C., Malacria M., Aubert C. Cobalt-mediated cyclic and linear 2:1 cooligomerization of alkynes with alkenes: a DFT study. J Am Chem Soc 2006, 128(26):8509-8520.
69. Garcia R.A., Carrero A., Aroca M., Prieto O., Dominguez C. Slow crack growth resistance in resin blends of chromium and metallocene catalyzed ethylene-hexene copolymers for pipe applications. Polym Eng Sci 2008, 48(5):925-933.
70. Ghiotti G., Garrone E., Zecchina A. An infrared study of carbon monoxide/ethylene coadsorption and reaction on silica-supported chromium(II) ions. J Mol Catal 1991, 65(1-2):73-83.
71. Ghiotti G., Garrone E., Coluccia S., Morterra C., Zecchina A. Evidence for alkylidenic configuration of polymethylene chains on a Phillips catalyst. J Chem Soc Chem Commun 1979, 22:1032-1033.
72. Ghiotti G., Garrone E., Zecchina A. IR investigation of polymerization centers of the Phillips catalyst. J Mol Catal 1988, 46(1-3):61-77.
73. Groeneveld C., Wittgen P.P.M.M., van Kersbergen A.M., et al. Hydrogenation of olefins and polymerization of ethene over chromium oxide/silica catalysts. I. Preparation and structure of the catalyst. J Catal 1979, 59(2):153-167.
74. 2 catalyst: a frontier for the characterization methods. Chem Rev 2005, 105(1):115-184.
75. 4 molecular complexes formed on the Cr(II) sites in the Phillips catalyst: a preliminary step in the understanding of a complex system. J Phys Chem B 2005, 109(31):15024-15031.
76. 2 Phillips catalyst by controlled annealing. J Catal 2005, 236(2):233-244.
77. 2 Phillips catalyst: observation of molecular adducts on Cr(II) sites. Chem Mater 2005, 17(8):2019-2027.
78. Groppo E., Prestipino C., Cesano F., et al. In situ, Cr K-edge XAS study on the Phillips catalyst: activation and ethylene polymerization. J Catal 2005, 230(1):98-108.
79. 2 Phillips catalyst: solving the puzzle of the initiation mechanismα. J Catal 2006, 240(2):172-181.
80. 2 Phillips catalyst: a quantification by FTIR spectroscopy. Phys Chem Chem Phys 2006, 8(21):2453-2456.
81. 2 system: a temperature- and pressure-dependent investigation. Catal Today 2007, 126(1-2):228-234.
82. Groppo E., Damin A., Arean C.O., Zecchina A. Enhancing the initial rate of polymerisation of the reduced phillips catalyst by one order of magnitude. Chem Eur J 2011, 17(40):11110-11114.
83. Groppo E., Seenivasan K., Barzan C. The potential of spectroscopic methods applied to heterogeneous catalysts for olefin polymerization. Catal Sci Technol 2013, 3(4):858-878.
84. Guesmi H., Tielens F. Chromium oxide species supported on silica: a representative periodic DFT model. J Phys Chem C 2012, 116(1):994-1001.
85. IV methylidene centres of heterogeneous molybdena-alumina catalyst. J Mol Catal A Chem 2001, 175(1-2):215-225.
86. Hardcastle F.D., Wachs I.E. Raman spectroscopy of chromium oxide supported on alumina, titania, and silica: a comparative study. J Mol Catal 1988, 46(1-3):173-186.
87. He X., Cai Y., Wang Q., et al. Improvement of mechanical properties and ultraviolet resistance of polyethylene pipe materials using high density polyethylene matrix grafted carbon black. J Macromol Sci Phys 2012, 51(2):298-312.
88. Hoang E.M., Allen N.S., Liauw C.M., Fontan E., Lafuente P. The thermo-oxidative degradation of metallocene polyethylenes: part 2: thermal oxidation in the melt state. Polym Degrad Stab 2006, 91(6):1363-1372.
89. Hogan JP, Banks RL: Polymers and production thereof, US patent 2825721, 1958.
90. Hubert L., David L., Seguela R., et al. Physical and mechanical properties of polyethylene for pipes in relation to molecular architecture. I. Microstructure and crystallization kinetics. Polymer 2001, 42(20):8425-8434.
91. Hubert L., David L., Seguela R., et al. Physical and mechanical properties of polyethylene for pipes in relation to molecular architecture. II. Short-term creep of isotropic and drawn materials. J Appl Polym Sci 2002, 84(12):2308-2317.
92. 2 catalyst for ethylene polymerization compared with the performance of the Phillips catalyst. J Polym Sci A Polym Chem 2003, 41(3):413-419.
93. Ivin K.J., Rooney J.J., Stewart C.D., Green M.L.H., Mahtab R. Mechanism for the stereospecific polymerization of olefins by Ziegler-Natta catalysts. J Chem Soc Chem Commun 1978, 14:604-606.
94. Jabri A., Temple C., Crewdson P., et al. Role of the metal oxidation state in the SNS-Cr catalyst for ethylene trimerization: isolation of di- and trivalent cationic intermediates. J Am Chem Soc 2006, 128(28):9238-9247.
95. Jabri A., Mason C.B., Gambarotta S., Burchell T.J., Duchateau R. Isolation of single-component trimerization and polymerization chromium catalysts: the role of the metal oxidation state. Angew Chem Int Ed 2008, 47(50):9717-9721.
96. Jordens K., Wilkes G.L., Janzen J., Rohlfing D.C., Welch M.B. The influence of molecular weight and thermal history on the thermal, rheological, and mechanical properties of metallocene-catalyzed linear polyethylenes. Polymer 2000, 41(19):7175-7192.
97. Jozwiak W.K., Dalla Lana I.G. Interactions between the chromium oxide phase and support surface; redispersion of alpha-chromia on silica, alumina and magnesia. J Chem Soc Faraday Trans 1997, 93(15):2583-2589.
98. Kennedy M.A., Peacock A.J., Mandelkern L. Tensile properties of crystalline polymers: linear polyethylene. Macromolecules 1994, 27(19):5297-5310.
99. Kissin Y.V., Brandolini A.J., Garlick J.L. Kinetics of ethylene polymerization reactions with chromium oxide catalysts. J Polym Sci A Polym Chem 2008, 46(16):5315-5329.
100. Klemps C., Payet E., Magna L., et al. PCNCP ligands in the chromium-catalyzed oligomerization of ethylene: tri- versus tetramerization. Chem Eur J 2009, 15(33):8259-8268.
101. Kozuch S. A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles. WIREs Comput Mol Sci 2012, 2(5):795-815.
102. Kozuch S., Shaik S. A combined kinetic-quantum mechanical model for assessment of catalytic cycles: application to cross-coupling and heck reactions. J Am Chem Soc 2006, 128(10):3355-3365.
103. Kozuch S., Shaik S. Kinetic-quantum chemical model for catalytic cycles: the Haber-Bosch process and the effect of reagent concentration. J Phys Chem A 2008, 112(26):6032-6041.
104. Kozuch S., Shaik S. How to conceptualize catalytic cyclesα The energetic span model. Acc Chem Res 2011, 44(2):101-110.
105. Krishnaswamy R.K., Yang Q., Fernandez-Ballester L., Kornfield J.A. Effect of the distribution of short-chain branches on crystallization kinetics and mechanical properties of high-density polyethylene. Macromolecules 2008, 41(5):1693-1704.
106. Lamberti C., Zecchina A., Groppo E., Bordiga S. Probing the surfaces of heterogeneous catalysts by in situ IR spectroscopy. Chem Soc Rev 2010, 39(12):4951-5001.
107. 2 catalyst. Asia Pac J Chem Eng 2013, 8(4):539-546.
108. Licciulli S., Thapa I., Albahily K., et al. Towards selective ethylene tetramerization. Angew Chem Int Ed 2010, 49(48):9225-9228.
109. 2 catalyst by XPS and EPMA. J Mol Catal A Chem 2001, 172(1-2):227-240.
110. 2 catalyst probed by XPS, TPD and EPMA. J Mol Catal A Chem 2002, 184(1-2):387-398.
111. 2 catalyst during induction period. J Mol Catal A Chem 2003, 201(1-2):189-197.
112. 2 catalysts isothermally calcined at various temperatures. J Mol Catal A Chem 2004, 219(1):165-173.
113. 2 catalyst and unique polymerization behavior in the presence of Al-alkyl cocatalyst. Macromol Symp 2004, 213(1):37-46.
114. 2 catalyst using density functional theory (DFT) and paired interacting orbitals (PIO) methods. Mol Simul 2004, 30(13-15):963-971.
115. 2 catalysts modified by Al-alkyl cocatalyst. J Mol Catal A Chem 2005, 238(1-2):142-150.
116. Liu Z., Cheng R., He X., Wu X., Liu B. DFT functional benchmarking on the energy splitting of chromium spin states and mechanistic study of acetylene cyclotrimerization over the Phillips Cr(II)/silica catalyst. J Phys Chem A 2012, 116(28):7538-7549.
117. Liu Z., Cheng R., He X., Liu B. Reactivity and regioselectivity of methylacetylene cyclotrimerization over the Phillips Cr/silica catalyst: a DFT study. ACS Catal 2013, 3(6):1172-1183.
118. Luruli N., Pijpers T., Brull R., et al. Fractionation of ethylene/1-pentene copolymers using a combination of SEC-FTIR and SEC-HPer DSC. J Polym Sci Polym Phys 2007, 45(21):2956-2965.
119. Manyik RM, Albans St., Walker WE, Wilson TP, Charleston, WV: Continuous processes for the production of ethylene polymers and catalysts suitable therefor, US patent 3300458, 1967.
120. Manyik R.M., Walker W.E., Wilson T.P. Soluble chromium-based catalyst for ethylene trimerization and polymerization. J Catal 1977, 47(2):197-209.
121. Martinez M., Michelini M.D.C., Rivalta I., Russo N., Sicilia E. Acetylene cyclotrimerization by early second-row transition metals in the gas phase. A theoretical study. Inorg Chem 2005, 44(26):9807-9816.
122. Matos I., Zhang Y., Lemos M., et al. Kinetic modeling studies of ethylene polymerization reactions using supported chromium catalysts. J Polym Sci A Polym Chem 2004, 42(14):3464-3472.
123. McDaniel M.P. The state of chromium(VI) on the chromium/silica polymerization catalyst. J Catal 1981, 67(1):71-76.
124. McDaniel M.P. The state of chromium(VI) on the Phillips polymerization catalyst. II. The reaction between silica and chromyl chloride. J Catal 1982, 76(1):17-28.
125. McDaniel M.P. Supported chromium catalysts for ethylene polymerization. Adv Catal 1985, 33:47-98.
126. McDaniel M.P. Polymerization reactions. Handbook of heterogeneous catalysis 2008, Wiley-VCH, Weinheim. G. Ertl, H. Knozinger, F. Schüth, J. Weitkamp (Eds.).
127. McDaniel M.P. A review of the Phillips supported chromium catalyst and its commercial use for ethylene polymerization. Adv Catal 2010, 53:123-606.
128. McDaniel M.P. Some reflections on the current state of Cr-based polymerization catalysts. MRS Bull 2013, 38(3):234-238.
129. McDaniel M.P., Cantor D.M. Hydrogen transfer during propagation of the Phillips catalyst. J Polym Sci Polym Chem Ed 1983, 21(4):1217-1221.
130. McDaniel M.P., Johnson M.M. A comparison of chromium/silica and chromium/aluminum phosphate polymerization catalysts. I. Kinetics. J Catal 1986, 101(2):446-457.
131. 4 polymerization catalysts. 2. Chain transfer. Macromolecules 1987, 20(4):773-778.
132. McGuinness D.S. Olefin oligomerization via metallacycles: dimerization, trimerization, tetramerization, and beyond. Chem Rev 2011, 111(3):2321-2341.
133. McGuinness D.S., Wasserscheid P., Keim W., et al. First Cr(III)-SNS complexes and their use as highly efficient catalysts for the trimerization of ethylene to 1-hexene. J Am Chem Soc 2003, 125(18):5272-5273.
134. McGuinness D.S., Brown D.B., Tooze R.P., et al. Ethylene trimerization with Cr-PNP and Cr-SNS complexes: effect of ligand structure, metal oxidation state, and role of activator on catalysis. Organometallics 2006, 25(15):3605-3610.
135. Merryfield R., McDaniel M.P., Parks G. An XPS study of the Philips chromium/silica polymerization catalyst. J Catal 1982, 77(2):348-359.
136. Moisii C., Deguns E.W., Lita A., et al. Coordination environment and vibrational spectroscopy of Cr(VI) sites supported on amorphous silica. Chem Mater 2006, 18(17):3965-3975.
137. 3 catalyst. Effect of silica calcination temperature and Cr content. Polym J 2003, 35(7):608-611.
138. Mortazavi S.M.M., Arabi H., Zohuri G., et al. Copolymerization of ethylene/α-olefins using bis(2-phenylindenyl)zirconium dichloride metallocene catalyst: structural study of comonomer distribution. Polym Int 2010, 59(9):1258-1265.
139. Nishimura M., Thomas J.M. IR study of the interaction of hydroxyl groups of silica gel with chromium species of Phillips-type catalysts. Catal Lett 1993, 21(1-2):149-155.
140. O'Neill P.P., Rooney J.J. Direct transformation of ethylene to propylene on an olefin metathesis catalyst. J Am Chem Soc 1972, 94(12):4383-4384.
141. Okamoto Y., Fujii M., Imanaka T., Teranishi S. X-ray photoelectron spectroscopic studies of catalysts. Chromia-alumina catalysts. Bull Chem Soc Jpn 1976, 49(4):859-863.
142. Paiva M.C., Zhou B., Fernando K.A.S., et al. Mechanical and morphological characterization of polymer-carbon nanocomposites from functionalized carbon nanotubes. Carbon 2004, 42(14):2849-2854.
143. Panchenko V.N., Zakharov V.A., Paukshtis E.A. DRIFTS and DRS studies of Phillips ethylene polymerization catalysts. Appl Catal A Gen 2006, 313(2):130-136.
144. 2(001) surfaces. J Phys Chem 1994, 98(14):3882-3892.
145. Qi Y., Dong Q., Zhong L., et al. Role of 1,2-dimethoxyethane in the transformation from ethylene polymerization to trimerization using chromium tris(2-ethylhexanoate)-based catalyst system: a DFT study. Organometallics 2010, 29(7):1588-1602.
146. Qiu P., Li X., Zhang S., et al. Supporting mechanism of non-toxic chromium(III) acetate on silica for preparation of Phillips ethylene polymerization catalysts. Asia Pac J Chem Eng 2009, 4(5):660-665.
147. Qiu P., Cheng R., Liu B., et al. A triphenylsiloxy complex of chromium(II) as a switchable catalyst for ethylene polymerization and nonselective oligomerization. Organometallics 2011, 30(8):2144-2148.
148. Qiu P., Cheng R., Liu Z., et al. Switching from ethylene polymerization to nonselective oligomerization over a homogeneous model catalyst: a triphenylsiloxy complex of chromium(VI). J Organomet Chem 2012, 699:48-55.
149. Rahman A., Mohamed M.H., Ahmed M., Aitani A.M. Characterization of chromia/alumina catalysts by X-ray photoelectron spectroscopy, proton induced X-ray emission and thermogravimetric analysis. Appl Catal A Gen 1995, 121(2):203-216.
150. Razavi-Nouri M. Studies of comonomer distributions and molecular segregations in metallocene-prepared polyethylenes by DSC. Polym Test 2006, 25(8):1052-1058.
151. Rebenstorf B., Larsson R. Why do homogeneous analogs of Phillips (chromium(VI) oxide/silica) and Union Carbide (chromocene/silica) polyethylene catalysts failα Some answers from IR investigations. J Mol Catal 1981, I1(2-3):247-256.
152. Richter M., Reich P., Oehlmann G. Evidence for crystalline chromium trioxide on chromium/silicon dioxide impregnation catalysts by laser Raman spectroscopy. J Mol Catal 1988, 46(1-3):79-86.
153. Sautet P., Delbecq F. Catalysis and surface organometallic chemistry: a view from theory and simulations. Chem Rev 2010, 110(3):1788-1806.
154. Schmidt H., Riederer W., Krauss H.L. On surface compounds of transition metals. Part 40. Characterization of chromium-doped silica catalyst systems of the Phillips type by scanning electron microscopy with energy dispersive analyzing system (SEM/EDS). J Prakt Chem 1996, 338(7):627-633.
155. Scott S.L., Ajjou J.A.N. Surface organometallic investigation of the mechanism of ethylene polymerization by silica-supported Cr catalysts. Chem Eng Sci 2001, 56(13):4155-4168.
156. Scott S.L., Fu A., MacAdams L.A. Effect of silica type and grafting method on the reactivity of tetraneopentylchromium(IV) towards and on silica. Inorg Chim Acta 2008, 361(11):3315-3321.
157. Skobelev I.Y., Panchenko V.N., Lyakin O.Y., et al. In situ EPR monitoring of chromium species formed during Cr-pyrrolyl ethylene trimerization catalyst formation. Organometallics 2010, 29(13):2943-2950.
158. Soares J.B.P., Abbott R.F., Kim J.D. Environmental stress cracking resistance of polyethylene: the use of CRYSTAF and SEC to establish structure-property relationships. J Polym Sci Polym Phys 2000, 38(10):1267-1275.
159. Spitz R., Florin B., Guyot A. Ethylene-hexene-1 copolymers through modified Phillips catalysis. Eur Polym J 1979, 15(5):441-444.
160. Stadler F.J., Gabriel C., Muenstedt H. Influence of short-chain branching of polyethylenes on the temperature dependence of rheological properties in shear. Macromol Chem Phys 2007, 208(22):2449-2454.
161. Tang W., Santare M.H., Advani S.G. Melt processing and mechanical property characterization of multi-walled carbon nanotube/high density polyethylene (MWNT/HDPE) composite films. Carbon 2003, 41(14):2779-2785.
162. Temple C.N., Jabri A., Crewdson P., et al. The question of the Cr oxidation state in the Cr-(SNS) catalyst for selective ethylene trimerization: an unanticipated re-oxidation pathway. Angew Chem Int Ed 2006, 45(42):7050-7053.
163. Temple C.N., Gambarotta S., Korobkov I., Duchateau R. New insight into the role of the metal oxidation state in controlling the selectivity of the Cr-(SNS) ethylene trimerization catalyst. Organometallics 2007, 26(18):4598-4603.
164. Theopold K.H. Homogeneous chromium catalysts for olefin polymerization. Eur J Inorg Chem 1998, 1998(1):15-24.
165. Thüne P.C., Verhagen C.P.J., van den Boer M.J.G., Niemantsverdriet J.W. Working surface science model for the Phillips ethylene polymerization catalyst: preparation and testing. J Phys Chem B 1997, 101(42):8559-8563.
166. 2/Si(100) model catalyst. Top Catal 2007, 46(1-2):239-245.
167. Tobisch S., Ziegler T. Catalytic linear oligomerization of ethylene to higher α-olefins: insight into the origin of the selective generation of 1-hexene promoted by a cationic cyclopentadienyl-arene titanium active catalyst. Organometallics 2003, 22(26):5392-5405.
168. Tobisch S., Ziegler T. Catalytic oligomerization of ethylene to higher linear α-olefins promoted by cationic group 4 cyclopentadienyl-arene active catalysts: a DFT investigation exploring the influence of electronic factors on the catalytic properties by modification of the hemilabile arene functionality. Organometallics 2004, 23(17):4077-4088.
169. + (M = Ti, Zr, Hf) active catalysts: a density functional investigation of the influence of the metal on the catalytic activity and selectivity. J Am Chem Soc 2004, 126(29):9059-9071.
170. Tobisch S., Ziegler T. Catalytic oligomerization of ethylene to higher linear α-olefins promoted by cationic group 4 cyclopentadienyl-arene active catalysts: toward the computational design of zirconium- and hafnium-based ethylene trimerization catalysts. Organometallics 2005, 24(2):256-265.
171. Tonosaki K., Taniike T., Terano M. Comprehensive investigation of catalyst structure and polymerization conditions for chain branching in ethylene polymerization with Phillips-type catalysts. Macromol React Eng 2011, 5(9-10):332-339.
172. Tonosaki K., Taniike T., Terano M. Origin of broad molecular weight distribution of polyethylene produced by Phillips-type silica-supported chromium catalyst. J Mol Catal A Chem 2011, 340(1-2):33-38.
173. Tsubokawa N. Functionalization of carbon black by surface grafting of polymers. Prog Polym Sci 1992, 17(3):417-470.
174. Tsubokawa N., Hosoya M., Kurumada J. Grafting reaction of surface carboxyl groups on carbon black with polymers having terminal hydroxyl or amino groups using N, N-dicyclohexyl-carbodiimide as a condensing agent. React Funct Polym 1995, 27(1):75-81.
175. Uhe A., Kozuch S., Shaik S. Automatic analysis of computed catalytic cycles. J Comput Chem 2011, 32(5):978-985.
176. van Kimmenade E.M.E., Kuiper A.E.T., Tamminga K., Thüne P.C., Niemantsverdriet J.W. Surface science model for the Phillips ethylene polymerization catalyst: thermal activation and polymerization activity. J Catal 2004, 223(1):134-141.
177. van Leeuwen P.W.N.M., Clement N.D., Tschan M.J.L. New processes for the selective production of 1-octene. Coord Chem Rev 2011, 255(13-14):1499-1517.
178. van Rensburg W.J., Grove C., Steynberg J.P., et al. A DFT study toward the mechanism of chromium-catalyzed ethylene trimerization. Organometallics 2004, 23(6):1207-1222.
179. Vidyaratne I., Nikiforov G.B., Gorelsky S.I., et al. Isolation of a self-activating ethylene trimerization catalyst. Angew Chem Int Ed 2009, 48(35):6552-6556.
180. 3 catalysts under ambient conditions: influence of coverage and calcination temperature. J Mol Catal 1993, 84(2):193-205.
181. Wang S., Tait P.J.T., Marsden C.E. Phillips-type polymerization catalysts: kinetic behavior and active center determination. J Mol Catal 1991, 65(1-2):237-252.
182. Wang S., Murata K., Hayakawa T., Hamakawa S., Suzuki K. Dehydrogenation of ethane with carbon dioxide over supported chromium oxide catalysts. Appl Catal A Gen 2000, 196(1):1-8.
183. Wang M., Pramoda K.P., Goh S.H. Enhancement of the mechanical properties of poly(styrene-co-acrylonitrile) with poly(methyl methacrylate)-grafted multiwalled carbon nanotubes. Polymer 2005, 46(25):11510-11516.
184. Weckhuysen B.M., de Ridder L.M., Schoonheydt R.A. A quantitative diffuse reflectance spectroscopy study of supported chromium catalysts. J Phys Chem 1993, 97(18):4756-4763.
185. Weckhuysen B.M., Wachs I.E., Schoonheydt R.A. Surface chemistry and spectroscopy of chromium in inorganic oxides. Chem Rev 1996, 96(8):3327-3349.
186. 2 catalyst with Al-alkyl cocatalyst and ethylene monomer. J Mol Catal A Chem 2006, 256(1-2):301-308.
187. 2 catalyst in the presence of an aluminum alkyl cocatalyst. J Appl Polym Sci 2009, 111(4):1869-1877.
188. 2 catalyst. Appl Catal A Gen 2010, 389(1-2):186-194.
189. Xu M., Zhang T., Gu B., Wu J., Chen Q. Synthesis and properties of novel polyurethane-urea/multiwalled carbon nanotube composites. Macromolecules 2006, 39(10):3540-3545.
190. Xu R., Winget P., Clark T. The cyclooligomerisation of acetylene at metal centres. Eur J Inorg Chem 2008, 2008(18):2874-2883.
191. Yang Y., Liu Z., Zhong L., et al. Spin surface crossing between Chromium(I)/Sextet and Chromium(III)/Quartet without deprotonation in SNS-Cr mediated ethylene trimerization. Organometallics 2011, 30(19):5297-5302.
192. 2] and an agostic-assisted hydride transfer mechanism. Angew Chem Int Ed 2003, 42(7):808-811.
193. Zaki M.I., Fouad N.E., Leyrer J., Knoezinger H. Physicochemical investigation of calcined chromia-coated silica and alumina catalysts: characterization of chromium-oxygen species. Appl Catal 1986, 21(2):359-377.
194. 2 catalysts: acetylene and methylacetylene oligomerisation. Phys Chem Chem Phys 2003, 5(20):4414-4417.
195. 13C-NMR and TREF + SC methods. Macromol Symp 2012, 312(1):63-71.
196. 2-supported inorganic and organic hybrid chromium-based catalyst for ethylene polymerization. J Mol Catal A Chem 2012, 358:10-22.
197. 2-supported inorganic and organic hybrid chromium-based catalyst. Macromol React Eng 2013, 7(6):254-266.
198. 2 active site precursors in model Phillips polymerization catalysts. J Catal 2012, 293:1-12.
199. 2 catalyst. ChemCatChem 2012, 4(6):872-881.