Xinxin Qi

article

Lattice dynamics, Raman and IR vibrations of stable Al/Si‐containing MAB phases: An ab initio and experimental study

Zhiyao Lu, Xinxin Qi, Xiaodong He, Jinze Zhang, more

Journal of the American Ceramic Society > 107 > 10 > 6853 - 6867

To comprehensively understand the physical properties of the MAB phases, a systematic exploration into their lattice dynamics, Raman, and infrared vibrations is undertaken for 24 previously screened stable Al/Si‐containing MAB phases with six crystal structures using density functional theory, where Raman experiments on Cr₂AlB₂ and Mo₂AlB₂ as well as the previous work confirm the high accuracy of...

article

Convenient Synthesis of Thioester‐Substituted Oxindoles by Palladium‐Catalyzed Thiocarbonylative Cyclization with Sulfonyl Chlorides as the Sulfur Source

Ren‐Rui Xu, Xiuyu Fang, Xinxin Qi, Xiao‐Feng Wu

Chinese Journal of Chemistry > 41 > 2 > 188 - 192

A general and straightforward strategy for the synthesis of thioester‐substituted oxindoles via a palladium‐catalyzed thiocarbonylative cyclization process has been developed. With sulfonyl chlorides as promising sulfur source, a wide range of thioester‐substituted oxindoles were obtained in moderate to high yields. Both aryl and alkyl sulfonyl chlorides were well tolerated, and Mo(CO)₆ played a dual...

article

Stability trend, weak bonding, and magnetic properties of the Al‐ and Si‐containing ternary‐layered borides MAB phases

Xinxin Qi, Xiaodong He, Weilong Yin, Guangping Song, more

Journal of the American Ceramic Society > 106 > 2 > 1513 - 1530

With first‐principles calculations, a global screening was conducted for the Al‐ and Si‐containing MAB phases by considering their stability, damage tolerance, and magnetic properties, of much interest, where these predicted results are in good agreement with the available experimental ones. By examining the thermodynamics competing with all the experimentally identified phases and lattice dynamics,...

article

NaOH/BEt₃ Catalyzed Regioselective Hydroboration of Epoxides to Secondary Alcohols

Jiali Wang, Wubin Yao, Dandan Hu, Xinxin Qi, more

European Journal of Organic Chemistry > 2022 > 35 > n/a - n/a

A regioselective hydroboration/hydrolysis of epoxides with pinacolborane catalyzed by NaOH/BEt₃ was achieved. Glycidyl oxide, styrene oxide and adamantane epoxide underwent facile hydroboration/deprotection to provide secondary alcohols with exclusive selectivity in good to excellent yields. Moreover, the stereochemistry of epoxides could also be well retained, and the corresponding secondary alcohols...

article

Synthesis of Aryl Methyl Sulfides from Arysulfonyl Chlorides with Dimethyl Carbonate as the Solvent and C1 Source

Ren‐Guan Miao, Xinxin Qi, Xiao‐Feng Wu

European Journal of Organic Chemistry > 2021 > 37 > 5219 - 5221

A new procedure for the synthesis of aryl methyl sulfides from dimethyl carbonate (DMC) and arylsulfonyl chlorides has been achieved. In this strategy, DMC plays a dual role as both, C1 building block and green solvent. Arylsulfonyl chlorides served as the sulfur precursors, and a variety of aryl methyl sulfides were obtained in moderate to excellent yields with good functional group tolerance. Additionally,...

article

Palladium‐Catalyzed Thiocarbonylation of Benzyl Chlorides with Sulfonyl Chlorides for the Synthesis of Arylacetyl Thioesters

Wei Wang, Xinxin Qi, Xiao‐Feng Wu

Advanced Synthesis & Catalysis > 363 > 10 > 2541 - 2545

A convenient procedure for the synthesis of thioesters has been developed via a palladium‐catalyzed thiocarbonylation of benzyl chlorides with sulfonyl chlorides. Various arylacetyl thioesters were produced in good yields by using sulfonyl chlorides as an odorless sulfur source. Furthermore, W(CO)₆ exhibited dual roles as both a solid CO surrogate and reductant here.

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A sectional critical plane model for multiaxial high‐cycle fatigue life prediction

Xinxin Qi, Tianqi Liu, Xinhong Shi, Jiaying Wang, more

Fatigue & Fracture of Engineering Materials & Structures > 44 > 3 > 689 - 704

A stress‐based sectional critical plane model is proposed to predict fatigue life under multiaxial constant amplitude loading. The proposed model considers the effects of material properties and loading paths including stress amplitude ratio, phase angle and mean stress. By introducing the ratio of maximum shear stress amplitude to maximum normal stress amplitude, the crack behaviour can be predicted...

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Experimental and DFT insights into elastic, magnetic, electrical, and thermodynamic properties of MAB‐phase Fe₂AlB₂

Yuelei Bai, Xinxin Qi, Xiaodong He, Guangping Song, more

Journal of the American Ceramic Society > 103 > 10 > 5837 - 5851

The elastic, magnetic, electrical, and thermodynamic properties of bulk polycrystalline Fe₂AlB₂ are reported, with further theoretical insights provided through first‐principles calculations. DFT simulations, along with an appropriate empirical method to treat magnetic contributions, reproduce well the experimental heat capacity, phonon thermal conductivity, and thermal expansion. The shear, Young's...

article

Selenium‐Catalyzed Carbonylative Synthesis of 2‐Benzimidazolones from 2‐Nitroanilines with TFBen as the CO Source

Xinxin Qi, Rong Zhou, Jin‐Bao Peng, Jun Ying, more

European Journal of Organic Chemistry > 2019 > 31-32 > 5161 - 5164

A selenium‐catalyzed carbonylative reaction for the synthesis of 2‐benzimidazolones from 2‐nitroanilines has been developed. In this strategy, to avoid the usage of toxic CO gas, TFBen (benzene‐1,3,5‐triyl triformate) was used as a solid and stable CO precursor, and a variety of desired 2‐benzimidazolones were produced in moderate to excellent yields.

article

Palladium‐Catalyzed Carbonylative Synthesis of Benzyl Benzoates Employing Benzyl Formates as Both CO Surrogates and Benzyl Alcohol Sources

Ming Lai, Xinxin Qi, Xiao‐Feng Wu

European Journal of Organic Chemistry > 2019 > 23 > 3776 - 3778

An efficient and convenient palladium‐catalyzed carbonylation reaction for the synthesis of benzyl benzoates from aryl bromides has been developed. Benzyl formates have been explored as a new type of efficient and useful CO sources and also reaction partners. A wide range of benzyl benzoates was obtained in good to excellent yields.

article

Phase stability and weak metallic bonding within ternary‐layered borides CrAlB, Cr₂AlB₂, Cr₃AlB₄, and Cr₄AlB₆

Yuelei Bai, Xinxin Qi, Xiaodong He, Dongdong Sun, more

Journal of the American Ceramic Society > 102 > 6 > 3715 - 3727

To explore the potential for use of the Cr–Al–B borides, Cr₂AlB₂, Cr₃AlB₄, and Cr₄AlB₆ as well as hypothetical CrAlB are investigated using density functional theory. In the CrAl(CrB₂)_n series strong covalent bonding is present between the B and Cr atoms with, significantly, much weaker metallic Cr–Al and B–Al bonds, suggesting similar unusual properties to the MAX phases. The relative stiffness of...

article

A Convenient Palladium‐Catalyzed Carbonylative Synthesis of (E)‐3‐Benzylidenechroman‐4‐ones

Wei‐Feng Wang, Jin‐Bao Peng, Xinxin Qi, Jun Ying, more

Chemistry – A European Journal > 25 > 14 > 3521 - 3524

A convenient palladium‐catalyzed carbonylation reaction for the efficient synthesis of (E)‐3‐benzylidenechroman‐4‐ones has been developed. Using TFBen as a solid CO source, a range of substituted (E)‐3‐benzylidenechroman‐4‐ones were prepared in moderate to good yields with 2‐iodophenols and allyl chlorides as the substrates. Additionally, substituted quinolin‐4(1H)‐ones can also be obtained with 2‐iodoaniline...

article

Palladium‐Catalyzed Carbonylative Coupling of Aryl Iodides with Alkyl Bromides: Efficient Synthesis of Alkyl Aryl Ketones

Jin‐Bao Peng, Bo Chen, Xinxin Qi, Jun Ying, more

Advanced Synthesis & Catalysis > 360 > 21 > 4153 - 4160

Alkyl aryl ketones are important structures with applications in many areas of chemistry. Hence, efficient procedures for their production are particularly attractive. In this communication, a general and efficient carbonylative cross‐coupling of aryl iodides and unactivated alkyl bromides is presented. By using a simple palladium catalyst, a series of alkyl aryl ketones were synthesized in moderate...

article

Palladium‐Catalyzed Solvent‐Dependent Divergent Synthesis of Benzylformamides

Fu‐Peng Wu, Jin‐Bao Peng, Xinxin Qi, Jun Ying, more

Advanced Synthesis & Catalysis > 360 > 17 > 3412 - 3417

A palladium‐catalyzed carbonylative cascade procedure for the synthesis of benzylformamides from aryl halides has been developed. The properties of the solvent chosen play a decisive role on the selectivity of the outcomes. Non‐coordinative solvent facilitates the coordination and insertion of CO to the amino‐palladium intermediate which then provides the formamides products. While the use of coordinative...

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Palladium-catalyzed four-component carbonylative synthesis of 2,3-disubstituted quinazolin-4(3H)-ones: Convenient methaqualone preparation

Jin-Bao Peng, Hui-Qing Geng, Wei Wang, Xinxin Qi, more

Journal of Catalysis > 2018 > 365 > C > 10-13

A palladium-catalyzed four-component carbonylative cyclization reaction for the synthesis of 2,3-disubstituted quinazolin-4(3H)-ones has been developed. A range of different 2,3-disubstituted quinazolin-4(3H)-one derivatives were prepared in moderate to good yields employing simple and readily accessible 2-iodoanilines, nitro compounds and acid anhydrides as the synthetic precursors. Mo(CO)₆ acted...

article

A Palladium‐Catalyzed Domino Procedure for the Synthesis of Unsymmetrical Ureas

Bo Chen, Jin‐Bao Peng, Jun Ying, Xinxin Qi, more

Advanced Synthesis & Catalysis > 360 > 15 > 2820 - 2824

A palladium‐catalyzed carbonylative procedure for the synthesis of unsymmetrical ureas has been developed. This one‐pot one‐step cascade procedure is consisted by three individual processes: carbonylation, Curtius rearrangement, and nucleophilic addition. A series of unsymmetrical ureas were prepared from easily available aryl iodides and amines in moderate to excellent yields. This procedure provides...

article

Convenient Palladium‐Catalyzed Reductive Carbonylation of Aryl Bromides Under Gas‐Free Conditions

Jun Ying, Lu‐Yang Fu, Chao Zhou, Xinxin Qi, more

European Journal of Organic Chemistry > 2018 > 22 > 2780 - 2783

A convenient and efficient palladium‐catalyzed reductive carbonylation of aryl and heteroaryl bromides has been developed. With formic acid as the CO source and sodium formate or formic acid as the hydrogen donor, various aromatic and heteroaromatic aldehydes were produced in good to excellent yields (53–94 %) under gas‐free conditions.

article

Base‐Promoted Carbonylative Cyclization of Propargylic Amines with Selenium under CO Gas‐free Conditions

Hai Wang, Jun Ying, Ming Lai, Xinxin Qi, more

Advanced Synthesis & Catalysis > 360 > 8 > 1693 - 1703

We report here a new carbonylative procedure for the cyclization of propargylic amines with elemental selenium (Se). By using tBuOK as the promoter, various 1,3‐selenazolidin‐2‐ones were produced without the usage of toxic CO gas. Benzene‐1,3,5‐triyl triformate (TFBen) was employed as a safe and convenient CO surrogate here, and a broad class of substrates (29 examples) were effectively transformed...

article

Base‐Promoted Sulfur‐Mediated Carbonylative Cyclization of Propargylic Amines

Jun Ying, Hai Wang, Xinxin Qi, Jin‐Bao Peng, more

European Journal of Organic Chemistry > 2018 > 5 > 688 - 692

A tBuOK‐mediated carbonylative cyclization of propargylic amines with elemental sulfur has been developed. With benzene‐1,3,5‐triyl triformate (TFBen) as a convenient CO surrogate, various substituted 1,3‐thiazolidin‐2‐ones were produced in good to excellent yields.

article

Investigation of electrochemical micromachining of tungsten microtools

Xinxin Qi, Xiaolong Fang, Di Zhu

International Journal of Refractory Metals and Hard Materials > 2018 > 71 > C > 307-314

Tungsten tools are used in various advanced manufacturing industries owing to their excellent physical and mechanical properties. However, the material characteristics of tungsten, such as its hardness and brittleness, make it difficult to fabricate tungsten microtools using mechanical methods. Electrochemical micromachining (ECMM) is a potential method for machining tungsten microstructures, because...

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Search results for: Xinxin Qi

Lattice dynamics, Raman and IR vibrations of stable Al/Si‐containing MAB phases: An ab initio and experimental study

Convenient Synthesis of Thioester‐Substituted Oxindoles by Palladium‐Catalyzed Thiocarbonylative Cyclization with Sulfonyl Chlorides as the Sulfur Source

Stability trend, weak bonding, and magnetic properties of the Al‐ and Si‐containing ternary‐layered borides MAB phases

NaOH/BEt₃ Catalyzed Regioselective Hydroboration of Epoxides to Secondary Alcohols

Synthesis of Aryl Methyl Sulfides from Arysulfonyl Chlorides with Dimethyl Carbonate as the Solvent and C1 Source

Palladium‐Catalyzed Thiocarbonylation of Benzyl Chlorides with Sulfonyl Chlorides for the Synthesis of Arylacetyl Thioesters

A sectional critical plane model for multiaxial high‐cycle fatigue life prediction

Experimental and DFT insights into elastic, magnetic, electrical, and thermodynamic properties of MAB‐phase Fe₂AlB₂

Selenium‐Catalyzed Carbonylative Synthesis of 2‐Benzimidazolones from 2‐Nitroanilines with TFBen as the CO Source

Palladium‐Catalyzed Carbonylative Synthesis of Benzyl Benzoates Employing Benzyl Formates as Both CO Surrogates and Benzyl Alcohol Sources

Phase stability and weak metallic bonding within ternary‐layered borides CrAlB, Cr₂AlB₂, Cr₃AlB₄, and Cr₄AlB₆

A Convenient Palladium‐Catalyzed Carbonylative Synthesis of (E)‐3‐Benzylidenechroman‐4‐ones

Palladium‐Catalyzed Carbonylative Coupling of Aryl Iodides with Alkyl Bromides: Efficient Synthesis of Alkyl Aryl Ketones

Palladium‐Catalyzed Solvent‐Dependent Divergent Synthesis of Benzylformamides

Palladium-catalyzed four-component carbonylative synthesis of 2,3-disubstituted quinazolin-4(3H)-ones: Convenient methaqualone preparation

A Palladium‐Catalyzed Domino Procedure for the Synthesis of Unsymmetrical Ureas

Convenient Palladium‐Catalyzed Reductive Carbonylation of Aryl Bromides Under Gas‐Free Conditions

Base‐Promoted Carbonylative Cyclization of Propargylic Amines with Selenium under CO Gas‐free Conditions

Base‐Promoted Sulfur‐Mediated Carbonylative Cyclization of Propargylic Amines

Investigation of electrochemical micromachining of tungsten microtools

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