Yi Luo
Dalian University of Technology
Density functional theoryMedicinal chemistryCopolymerCatalysisMonomerOrganic chemistryCationic polymerizationChemistryPolymer chemistryMaterials scienceSteric effectsMoietyAlkylMoleculePolymerizationOlefin fiberMetalStereochemistryPhotochemistryCrystallographyLigand
128Publications
26H-index
2,251Citations
Publications 122
Newest
#1Deng Pan (DUT: Dalian University of Technology)
#2Gen Luo (Anda: Anhui University)H-Index: 13
Last. Yi Luo (DUT: Dalian University of Technology)H-Index: 26
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Computational studies on Ir(III)-catalyzed intermolecular branch-selective allylic C–H amination of terminal olefins with methyl dioxazolone have been carried out to investigate the mechanism, including the origins of regioselectivity and catalytic activity difference. The result suggests that the reaction proceeds through generation of active species, alkene coordination, allylic C–H activation, decarboxylation, migratory insertion, and protodemetalation. The presence of AgNTf2 could thermodyna...
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#1Chaorong QiH-Index: 31
#2Lu WangH-Index: 5
Last. Huanfeng JiangH-Index: 70
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A copper-catalyzed four-component reaction of alkenes, Togni's reagent, amines and CO2 has been successfully developed for the first time, which provides an efficient and straightforward method for the synthesis of a range of stereodefined (Z)-enol carbamates. Easily available starting materials and cheap catalyst, high stereoselectivity, good functional group tolerance and broad substrate scope are the features of the transformation. The mechanistic aspects of this transformation have been eluc...
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#1Xiaowei XuH-Index: 3
#1Xiaowei Xu (DUT: Dalian University of Technology)H-Index: 30
Last. Yi LuoH-Index: 26
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The origin of opposite reactivity in the ring-opening polymerizations of lactide (LA) and cyclohexene oxide (CHO) catalyzed by redox-switchable bis(imino)pyridine iron complexes has been computationally elucidated. It is found that larger geometrical deformation accounts for the lower activity of the oxidized form (Feox) of the iron catalyst toward LA polymerization in comparison with the reduced analogue (Fered) enabling LA insertion with a moderate energy barrier of 27.1 kcal mol−1. In contras...
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#1Pan Wang (DUT: Dalian University of Technology)H-Index: 1
#2Gen Luo (Anda: Anhui University)H-Index: 13
Last. Yi Luo (DUT: Dalian University of Technology)H-Index: 26
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The synthesis of multisubstituted 1-aminoindanes through catalyst-controlled diastereodivergent [3 + 2] annulation of aromatic imines with alkenes is of great interest and importance. An understanding of the exact reaction mechanism, especially for the origin of diastereoselectivity, is an essential aspect for further development of such reactions. In this study, density functional theory calculations have been carried out on the rare-earth-catalyzed diastereodivergent [3 + 2] annulation of benz...
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#1Kei NishiiH-Index: 1
#2Guangli Zhou (DUT: Dalian University of Technology)H-Index: 5
Last. Zhaomin Hou (DUT: Dalian University of Technology)H-Index: 77
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Regio- and stereoselectivity control in the polymerization of 1,3-conjugated dienes is of much interest and importance. We report herein for the first time the isospecific trans-1,4-selective livin...
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#2Han LuH-Index: 1
Last. Yi LuoH-Index: 26
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Biocompatible and biodegradable polyphosphoesters derived from the ring-opening polymerization (ROP) of phosphate esters have drawn increasing attention because of their potential applications in clinical and therapeutic fields. The related knowledge of the ROP mechanism, however, is very limited to date. Herein, the ROP of 2-isobutoxy-2-oxo-1,3,2-dioxaphospholane (iBP) catalyzed by 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) or the combination of DBU/thiourea (TU, 1-[3,5-bis(trifluoromethyl)phenyl...
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#1Jian Tang (QUST: Qingdao University of Science and Technology)H-Index: 2
#2Tinghao Xie (QUST: Qingdao University of Science and Technology)H-Index: 1
Last. Geng Jieting (QUST: Qingdao University of Science and Technology)H-Index: 2
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The lithiation reaction is a key step in anionic graft polymerization of polydienes. However, we observed that polymer degradation occurs concurrently with the lithiation process. Herein, alkyllith...
1 CitationsSource
#1Chong-Min Chen (TJU: Tianjin University)H-Index: 1
#2Xiaowei Xu (DUT: Dalian University of Technology)H-Index: 30
Last. Yue-Sheng Li (TJU: Tianjin University)H-Index: 17
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In this contribution, we thoroughly investigated the ring-opening alternating copolymerization (ROAC) of cyclic anhydride and epoxide by using commercially available alkali metal carboxylates (AMCs...
1 CitationsSource
#1Yanan ZhaoH-Index: 6
#2Gen LuoH-Index: 13
Last. Yi LuoH-Index: 26
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The polymerization mechanism of methyl methacrylate (MMA) catalyzed by rare-earth/phosphorus (RE/P) Lewis pairs has been systematically studied through density functional theory (DFT) calculations. Having achieved an agreement between theory and experiment, it is found that the polymerization of MMA mediated by intermolecular RE/P Lewis pairs mainly follows the bimetallic mechanism, while the monometallic pathway could not be excluded in the case of a La analogue. In comparison with phenyl phosp...
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#1Andleeb MehmoodH-Index: 6
#2Xiaowei XuH-Index: 3
Last. Yi LuoH-Index: 26
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The mechanism of ethylene with vinyl ether (VE, CH2=CHOEt) copolymerization catalyzed by phosphine-sulfonate palladium complex (A) was investigated by density functional theory (DFT) calculation. On achieving an agreement between theory and experiment, it is found that the favorable 1,2-selective insertion of VE into the complex A originates from stronger hydrogen interaction between the oxygen atom of VE and the ancillary ligand of catalyst A. Additionally, VE insertion is easier into the ethyl...
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