SDS of cas: 101-84-8. Recently I am researching about ENERGY-ADJUSTED PSEUDOPOTENTIALS; DENSITY FUNCTIONALS; BASIS-SETS; PALLADIUM; ACTIVATION; BROMIDES; ELEMENTS; CARBON; TRIPHENYLPHOSPHINE; THERMOCHEMISTRY, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21702182, 21873081]; Fundamental Research Funds for the Central UniversitiesFundamental Research Funds for the Central Universities [2019QNA3009]; State Key Laboratory of Clean Energy Utilization [ZJUCEU2020007]; China Postdoctoral Science FoundationChina Postdoctoral Science Foundation [2018M640546]. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Wu, SQ; Zhang, SQ; Hong, X. The CAS is 101-84-8. Through research, I have a further understanding and discovery of Diphenyl oxide
Transition metal-catalyzed single bond metathesis has recently emerged as a useful strategy for functional group transfer. In this work, we explored the mechanism and reactivity profile of Pd/PhI-cocatalyzed C-P bond metathesis between aryl phosphines using density functional theory (DFT) calculations. The overall single bond metathesis involves two Pd(ii)-catalyzed C-P reductive eliminations and two Pd(0)-catalyzed C-P oxidative additions, which allows the reversible C-P bond cleavage and formation of the phosphonium cation. Distortion/interaction analysis indicates that the facile C-P bond cleavage and formation of the phosphonium cation are due to the involvement of coordinating aryl phosphine in the process. In addition, the substituent effects on the reaction kinetics and thermodynamics of metathesis were computed, which provides helpful mechanistic information for the design of related single bond metathesis reactions.
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Reference:
Ether – Wikipedia,
,Ether | (C2H5)2O – PubChem