In 2020.0 ORG BIOMOL CHEM published article about ENERGY-ADJUSTED PSEUDOPOTENTIALS; DENSITY FUNCTIONALS; BASIS-SETS; PALLADIUM; ACTIVATION; BROMIDES; ELEMENTS; CARBON; TRIPHENYLPHOSPHINE; THERMOCHEMISTRY in [Wu, Shao-Qi; Zhang, Shuo-Qing; Hong, Xin] Zhejiang Univ, Dept Chem, Hangzhou 310058, Peoples R China; [Hong, Xin] Zhejiang Univ, State Key Lab Clean Energy Utilizat, Zheda Rd 38, Hangzhou 310027, Peoples R China in 2020.0, Cited 56.0. The Name is Diphenyl oxide. Through research, I have a further understanding and discovery of 101-84-8. Computed Properties of C12H10O
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.
Welcome to talk about 101-84-8, If you have any questions, you can contact Wu, SQ; Zhang, SQ; Hong, X or send Email.. Computed Properties of C12H10O
Reference:
Ether – Wikipedia,
,Ether | (C2H5)2O – PubChem