Theoretical Study of Methylaluminoxane Formation

References

1. ZieglerK. HolzkampE. BreilH. MartinH. Polymerisation von Äthylen und anderen Olefinen.Angew. Chem.1955671642642610.1002/ange.19550671610
   [Google Scholar]
2. NattaG. Stereospezifische katalysen und isotaktische polymere.Angew. Chem.1956681239340310.1002/ange.19560681202
   [Google Scholar]
3. SinnH. KaminskyW. Ziegler-Natta catalysis.Adv. Organomet. Chem.1980189914910.1016/S0065‑3055(08)60307‑X
   [Google Scholar]
4. ZieglerK. BreilH. MartinH. High molecular polyethylenes.G.B. Patent 799392, 1957.
5. NattaG. PinoP. MazzantiG. Isotactic polypropylene.U.S. Patent 3112300, 1963.
6. TornqvistE.G.M. The stereo rubbers, William M. Saltman, Wiley Interscience, New York, 1977, 897, pp., $ l49. 50.J. Polym. Sci.: Polym. Let. Ed.1978161535510.1002/pol.1978.130160112
   [Google Scholar]
7. DolgoploskB.A. TinyakovaE.I. The role of Ziegler-Natta catalysts in the synthesis of stereoregular polymers of conjugated dienes.Polymer Sci.1994361013801403
   [Google Scholar]
8. GalliP. Forty years of industrial developments in the field of isotactic polyolefins.Macromol. Symp.1995891132610.1002/masy.19950890105
   [Google Scholar]
9. SauterD. TaoufikM. BoissonC. Polyolefins, a success story.Polymers (Basel)20179618510.3390/polym906018530970864
   [Google Scholar]
10. SinhaA.S.K. OjhaU. Evolution of Ziegler-Natta catalysts for polymerization of olefins.Catal. Clean Energy Environm. Sustainability: Petrochemic. Refin. Processes-Volume2021267570510.1007/978‑3‑030‑65021‑6_21
    [Google Scholar]
11. MasliyA.N. AkhmetovI.G. KuznetsovA.M. DavletbaevaI.M. DFT and ONIOM simulation of 1,3-butadiene polymerization catalyzed by neodymium-based ziegler–natta system.Polymers (Basel)2023155116610.3390/polym1505116636904407
    [Google Scholar]
12. GlaserR. SunX. Thermochemistry of the initial steps of methylaluminoxane formation. Aluminoxanes and cycloaluminoxanes by methane elimination from dimethylaluminum hydroxide and its dimeric aggregates.J. Am. Chem. Soc.201113334133231333610.1021/ja109457j21819106
    [Google Scholar]
13. KaminskyW. Discovery of methylaluminoxane as cocatalyst for olefin polymerization.Macromolecules20124583289329710.1021/ma202453u
    [Google Scholar]
14. KaminskyW. SinnH. Polyolefins 50 Years After Ziegler And Natta Ii Polyolefins By Metallocenes And Other Single Site Catalysts Advances In Polymer Science.Springer201310.1007/12_2013_226
    [Google Scholar]
15. ZijlstraH.S. HarderS. Methylalumoxane–history, production, properties, and applications.Eur. J. Inorg. Chem.201520151194310.1002/ejic.201402978
    [Google Scholar]
16. LinnolahtiM. CollinsS. Formation, structure, and composition of methylaluminoxane.ChemPhysChem201718233369337410.1002/cphc.20170082728857416
    [Google Scholar]
17. ZijlstraH.S. Mysterious MAO: Towards a better structural understanding of Methylalumoxane and the development of well-defined Alumoxanes.PhD thesis, University of Groningen, 2016.
    [Google Scholar]
18. JoshiA. ZijlstraH.S. LilesE. ConcepcionC. LinnolahtiM. McIndoeJ.S. Real-time analysis of methylalumoxane formation.Chem. Sci. (Camb.)202112254655110.1039/D0SC05075J34163784
    [Google Scholar]
19. NeeseF. The ORCA program system.Wiley Interdiscip. Rev. Comput. Mol. Sci.201221737810.1002/wcms.81
    [Google Scholar]
20. NeeseF. Software update: The ORCA program system—Version 5.0.Wiley Interdiscip. Rev. Comput. Mol. Sci.2022125e160610.1002/wcms.1606
    [Google Scholar]
21. AdamoC. BaroneV. Toward reliable density functional methods without adjustable parameters: The PBE0 model.J. Chem. Phys.1999110136158617010.1063/1.478522
    [Google Scholar]
22. WeigendF. AhlrichsR. Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy.Phys. Chem. Chem. Phys.20057183297330510.1039/b508541a16240044
    [Google Scholar]
23. StoychevG.L. AuerA.A. NeeseF. Automatic generation of auxiliary basis sets.J. Chem. Theory Comput.201713255456210.1021/acs.jctc.6b0104128005364
    [Google Scholar]
24. MasliyA.N. KuznetsovA.M. Influence of dispersion interactions in the diels-alder reaction of cyclopentadiene, anthracene and tetracene with C60: A DFT examination.Curr. Org. Chem.202327211909191510.2174/0113852728278635231127111522
    [Google Scholar]
25. BaroneV. CossiM. Quantum calculation of molecular energies and energy gradients in solution by a conductor solvent model.J. Phys. Chem. A1998102111995200110.1021/jp9716997
    [Google Scholar]
26. CammiR. MennucciB. TomasiJ. Fast evaluation of geometries and properties of excited molecules in solution: A Tamm-Dancoff model with application to 4-dimethylaminobenzonitrile.J. Phys. Chem. A2000104235631563710.1021/jp000156l
    [Google Scholar]