Hafsa Aftab , Jiajun Zhang , Yan Cao , Fengqin Guo , Shuang Xu , Peng He , Huiquan Li , Liguo Wang
{"title":"ZrO2对1,2-丁二醇与碳酸二甲酯酯交换合成碳酸1,2-丁二烯的相结构影响","authors":"Hafsa Aftab , Jiajun Zhang , Yan Cao , Fengqin Guo , Shuang Xu , Peng He , Huiquan Li , Liguo Wang","doi":"10.1016/j.mcat.2025.115299","DOIUrl":null,"url":null,"abstract":"<div><div>Cyclic carbonates are valuable green chemicals with wide-ranging applications, but their conventional synthesis often involves toxic reagents or inefficient catalytic systems. In this work, zirconia catalysts with different crystalline phases (tetragonal, monoclinic, and mixed-phase) were developed and evaluated for the transesterification of 1,2-butanediol with dimethyl carbonate. The tetragonal ZrO<sub>2</sub> (<em>t</em>-ZrO<sub>2</sub>) exhibited superior catalytic activity (space-time yield of 41.76 g<sub>1,2-BC</sub> g<sub>cat.</sub><sup>−1</sup> h<sup>−1</sup>) due to favorable surface properties and exposed active (101) facet. This study establishes a green, efficient route for 1,2-butylene carbonate synthesis, providing key insights into catalyst structure-activity relationships.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"584 ","pages":"Article 115299"},"PeriodicalIF":4.9000,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Phase structure impact of ZrO2 on the synthesis of 1,2-butylene carbonate via transesterification of 1,2-butanediol and dimethyl carbonate\",\"authors\":\"Hafsa Aftab , Jiajun Zhang , Yan Cao , Fengqin Guo , Shuang Xu , Peng He , Huiquan Li , Liguo Wang\",\"doi\":\"10.1016/j.mcat.2025.115299\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Cyclic carbonates are valuable green chemicals with wide-ranging applications, but their conventional synthesis often involves toxic reagents or inefficient catalytic systems. In this work, zirconia catalysts with different crystalline phases (tetragonal, monoclinic, and mixed-phase) were developed and evaluated for the transesterification of 1,2-butanediol with dimethyl carbonate. The tetragonal ZrO<sub>2</sub> (<em>t</em>-ZrO<sub>2</sub>) exhibited superior catalytic activity (space-time yield of 41.76 g<sub>1,2-BC</sub> g<sub>cat.</sub><sup>−1</sup> h<sup>−1</sup>) due to favorable surface properties and exposed active (101) facet. This study establishes a green, efficient route for 1,2-butylene carbonate synthesis, providing key insights into catalyst structure-activity relationships.</div></div>\",\"PeriodicalId\":393,\"journal\":{\"name\":\"Molecular Catalysis\",\"volume\":\"584 \",\"pages\":\"Article 115299\"},\"PeriodicalIF\":4.9000,\"publicationDate\":\"2025-06-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Molecular Catalysis\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2468823125004882\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Molecular Catalysis","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2468823125004882","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Phase structure impact of ZrO2 on the synthesis of 1,2-butylene carbonate via transesterification of 1,2-butanediol and dimethyl carbonate
Cyclic carbonates are valuable green chemicals with wide-ranging applications, but their conventional synthesis often involves toxic reagents or inefficient catalytic systems. In this work, zirconia catalysts with different crystalline phases (tetragonal, monoclinic, and mixed-phase) were developed and evaluated for the transesterification of 1,2-butanediol with dimethyl carbonate. The tetragonal ZrO2 (t-ZrO2) exhibited superior catalytic activity (space-time yield of 41.76 g1,2-BC gcat.−1 h−1) due to favorable surface properties and exposed active (101) facet. This study establishes a green, efficient route for 1,2-butylene carbonate synthesis, providing key insights into catalyst structure-activity relationships.
期刊介绍:
Molecular Catalysis publishes full papers that are original, rigorous, and scholarly contributions examining the molecular and atomic aspects of catalytic activation and reaction mechanisms. The fields covered are:
Heterogeneous catalysis including immobilized molecular catalysts
Homogeneous catalysis including organocatalysis, organometallic catalysis and biocatalysis
Photo- and electrochemistry
Theoretical aspects of catalysis analyzed by computational methods