Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations

Li, Xi; Cheng, Kaiming; Yuan, Xiaoming; Zhao, Dongdong; Xin, Jinghua; Wang, Weiwei; Zhang, Cong; Du, Yong

doi:10.1016/j.calphad.2013.09.002

Cited by 11 publications

(3 citation statements)

References 42 publications

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“…Du’s research group subsequently disclosed their work on a more general preparation of 3-iodo-2-quinolones and spirocyclic 3-iodo-2-pyrrolidones. 17 Notably, their second method could also be used to prepare compounds with chlorine or bromine substituents. The method took advantage of (diacetoxyiodo)benzene (PIDA) as the oxidant to oxidize the halide salts employed in the reactions.…”

Section: Synthesis Of Aryl-fused Halogenated N -Heter...mentioning

confidence: 99%

Halogenative Annulation Reactions of Alkyne-Tethered N- and O-Containing Arenes: Methods for Accessing Aryl-Fused Halogenated N- and O-Heterocycles

2023

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Halogenative annulation reactions of alkyne-tethered N- and O-containing arenes is a general strategy being employed in the construction of various halogenated N- and O-heterocycles. The methods are useful in producing valuable synthetic building blocks carrying C(sp2)-halide functional groups, which are useful synthetic handles, especially for cross-coupling reactions, and a myriad of other transformations. When the alkyne is tethered to the heteroatom via an aromatic ring, the reaction gives rise to aryl-fused halogenated heterocycles. In this Short Review, various past and present technologies of halogenative annulation methods to construct aryl-fused halogenated N- and O-heterocycles are examined with focus on more recent technologies, encompassing various participating roles of the halogenating agents. Additionally, future directions for this age-old, but still very useful, reactions will be considered.

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Section: Synthesis Of Aryl-fused Halogenated N -Heter...mentioning

confidence: 99%

Halogenative Annulation Reactions of Alkyne-Tethered N- and O-Containing Arenes: Methods for Accessing Aryl-Fused Halogenated N- and O-Heterocycles

2023

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“…Of 28 binary subsystems, 25 systems have been thermodynamically assessed based on the CALPHAD method [ 24 , 25 , 43 ]. Thermodynamic descriptions for the 25 assessed binary systems adopted in the present work are: Al-B [ 44 ], Al-Co [ 45 ], Al-Cu [ 46 ], Al-Dy [ 47 ], Al-Fe [ 48 ], Al-Ga [ 49 ], Al-Nd [ 50 ], B-Co [ 51 ], B-Cu [ 52 ], B-Dy [ 53 ], B-Fe [ 54 ], B-Ga [ 55 ], B-Nd [ 56 ], Co-Cu [ 57 ], Co-Dy [ 58 ], Co-Fe [ 59 ], Co-Ga [ 60 ], Co-Nd [ 61 ], Cu-Dy [ 62 ], Cu-Fe [ 63 ], Cu-Ga [ 64 ], Cu-Nd [ 65 ], Dy-Fe [ 66 ], Fe-Ga [ 67 ], and Fe-Nd [ 56 ]. The Dy-Ga [ 68–71 ] and Ga-Nd [ 71–75 ] binary systems have not yet been assessed because of a lack of experimental data.…”

Section: Construction Of Database For Nd-based Magnetsmentioning

confidence: 99%

Development of a prototype thermodynamic database for Nd-Fe-B permanent magnets

Abe

Morishita

Chen

et al. 2021

Science and Technology of Advanced Materials

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Development of a prototype thermodynamic database for Nd-Fe-B permanent magnetsFor the Nd-Fe-B permanent magnets, a prototype thermodynamic database of the 8-element system (Nd, Fe, B, Al, Co, Cu, Dy, Ga) was constructed based on literature data and assessed parameters in the present work. The magnetic excess Gibbs energy of the Nd 2 Fe 14 B compound was reassessed using thoroughly measured heat capacity data. The Dy-Nd binary system was reassessed based on formation energies estimated from ab initio calculations. The constructed database was applied successfully for estimations of phase equilibria during the grain boundary diffusion processes (GBDP) and the reactions in the hydrogenation decomposition desorption recombination (HDDR) processes.

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“…In the above processes, pure metals and metal oxide supports are usually the active sites for activating the reactant (e. g., CO 2 , H 2 , CH 4 , H 2 O), facilitating the targeted product generation [48–54] . To maintain the dispersed active centers, inhibit the metal agglomeration and produce more reactive interfaces, a suitable support material is necessary for a highly efficient and stable thermocatalytic CO 2 conversion at relatively high temperatures [55] . Compared with other commonly used supports (e. g., ZrO 2 , TiO 2 and SiO 2 ), Al 2 O 3 possesses an appropriate pore size, high specific surface area and good structural stability, presenting a strong interaction with metals and forming abundant metal‐support interfaces [56] .…”

Section: Introductionmentioning

confidence: 99%

Applications of Al₂O₃‐Based Nano‐Catalysts in Thermocatalytic CO₂ Transformations: Impacts of Surface Acidity and Basicity

Qiu

Tan

et al. 2023

ChemCatChem

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Adsorption and activation of CO2 exert a profound impact on the catalytic conversion and stability in thermocatalytic CO2 transformations. To optimize the surface property of Al2O3‐based nano‐catalysts, various modifications focusing on the surface acidity and basicity have been applied and proven effective in promoting the CO2 adsorption and activation, thus enhancing the catalytic performances. In this Review, the beneficial effects of a series of modifications strategies (e. g., promoters and synthesis/treatment methods) on adjusting the surface acidity and basicity of Al2O3‐based nano‐catalysts were comprehensively summarized, covering nearly all types of thermocatalytic CO2 transformations (e. g., reforming and hydrogenation). Moreover, the structure‐performance relationships were discussed in depth by relating to the adsorption, activation and conversion of CO2, selectivity of targeted products as well as the coke resistance and lifespan of catalysts.

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Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations

Cited by 11 publications

References 42 publications

Halogenative Annulation Reactions of Alkyne-Tethered N- and O-Containing Arenes: Methods for Accessing Aryl-Fused Halogenated N- and O-Heterocycles

Halogenative Annulation Reactions of Alkyne-Tethered N- and O-Containing Arenes: Methods for Accessing Aryl-Fused Halogenated N- and O-Heterocycles

Development of a prototype thermodynamic database for Nd-Fe-B permanent magnets

Applications of Al₂O₃‐Based Nano‐Catalysts in Thermocatalytic CO₂ Transformations: Impacts of Surface Acidity and Basicity

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Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations

Cited by 11 publications

References 42 publications

Halogenative Annulation Reactions of Alkyne-Tethered N- and O-Containing Arenes: Methods for Accessing Aryl-Fused Halogenated N- and O-Heterocycles

Halogenative Annulation Reactions of Alkyne-Tethered N- and O-Containing Arenes: Methods for Accessing Aryl-Fused Halogenated N- and O-Heterocycles

Development of a prototype thermodynamic database for Nd-Fe-B permanent magnets

Applications of Al2O3‐Based Nano‐Catalysts in Thermocatalytic CO2 Transformations: Impacts of Surface Acidity and Basicity

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Product

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Applications of Al₂O₃‐Based Nano‐Catalysts in Thermocatalytic CO₂ Transformations: Impacts of Surface Acidity and Basicity