Abstract:
The DFT quantum-chemical modeling of the catalytic cycle of alkene hydroformylation on organoplatinum hydride [(R2PO)2H]-Pt(PR3)(H) shows that reversible shifts of proton in the –PR2OH···O=PR2– chain inside quasi-chelate ligand [(R2PO)2H] proceed in several reaction steps thus providing fine tuning of electron density in the catalytic centre and acting as a molecular switch.
Document Type:
Article
Language: English
Citation:
Yu. V. Babin, A. V. Gavrikov, Yu. A. Ustynyuk, “Theoretical DFT study of ethylene hydroformylation on platinum complexes with hydrophosphoryl ligands”, Mendeleev Commun., 18:1 (2008), 12–13
Linking options:
https://www.mathnet.ru/eng/mendc3229
https://www.mathnet.ru/eng/mendc/v18/i1/p12
This publication is cited in the following 5 articles:
Yifei Chen, Yongru You, Chen Xin, Xiuqin Dong, Hao Gong, “Rational design of ligand-immobilized Rh/IRMOFs catalysts for 1-butene hydroformylation with high regioselectivity”, Journal of Environmental Chemical Engineering, 12:6 (2024), 114163
Mohammed A. Assiri, Tarik E. Ali, Somaya M. El‐Edfawy, I. S. Yahia, “Synthesis and Characterization of Some Novel Phosphorylated 4‐Oxo‐2‐phenylquinazolines”, Journal of Heterocyclic Chem, 55:8 (2018), 1955
Salah Abdel-Ghaffar Abdel-Aziz, Tarik El-Sayed Ali, Kamilia Mohamed El-Mahdy, Somaia Mohamed Abdel-Karim, “Synthesis and antimicrobial activities of some novel bis-pyrazole derivatives containing a hydrophosphoryl unit”, Eur. J. Chem., 2:1 (2011), 25
Yu. A. Ustynyuk, Yu. V. Babin, V. G. Savchenko, E. M. Myshakin, A. V. Gavrikov, “Mechanism of ethylene hydroformylation on platinum complexes with hydrophosphoryl ligands: a DFT study”, Russ Chem Bull, 59:4 (2010), 686
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