气候变化领域集成服务门户(CCPortal): N-Heterocyclic Carbene Moiety in Highly Porous Organic Hollow Nanofibers for Efficient CO2 Conversions: A Comparative Experimental and Theoretical Study

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DOI	10.1021/acscatal.3c05576
	N-Heterocyclic Carbene Moiety in Highly Porous Organic Hollow Nanofibers for Efficient CO2 Conversions: A Comparative Experimental and Theoretical Study
	Bhattacharjee, Sudip; Tripathi, Anjana; Chatterjee, Rupak; Thapa, Ranjit; Mueller, Thomas E.; Bhaumik, Asim
发表日期	2024
ISSN	2155-5435
起始页码	14
结束页码	2
卷号	14 期号:2
英文摘要	Global warming and climate change are two severe environmental dangers brought on by the steady rise in the carbon dioxide (CO2) concentration in the atmosphere. Thus, in order to reduce this problem, it is essential to find an efficient material for high CO2 capture that can simultaneously exhibit good catalytic activity for CO2 utilization into useful chemicals. Herein, we report the synthesis of N-heterocyclic carbene-based porous organic polymers (NHC-01 and NHC-02) using the Friedel-Crafts reaction with the imidazolium salt and bi-phenyl. Among the two porous polymers, NHC-01 exhibited outstanding stability, high flexibility, and high BET surface area (1298 m(2) g(-1)). NHC-01 material displayed a high CO2 uptake capacity of 2.85 mmol g(-1) under 1.0 bar pressure at 273 K. NHC-01/02 has been utilized as a metal-free organocatalyst for the CO2 conversion reaction due to its high surface area, high CO2 absorption capacity, and as it bears the NHC moiety in the organic network. NHC-01 selectively reduced CO2 to methanol via hydrosilylation with complete conversion of silane under atmospheric CO2 pressure. Furthermore, the catalyst also shows good catalytic activity toward N-formylation and reductive cyclization reactions, which showed good yields up to at least four catalytic cycles. The reaction mechanisms are also studied by theoretical simulation using density functional theory (DFT), which shows that intermediates have the appropriate free energy level for the catalyst to promote the reaction with a low energy barrier.
英文关键词	carbon capture and utilization (CCU); N-heterocycliccarbene; porous organic polymer; CO2 fixation; hydrosilylation; methanol synthesis
语种	英语
WOS研究方向	Chemistry
WOS类目	Chemistry, Physical
WOS记录号	WOS:001146508000001
来源期刊	ACS CATALYSIS
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/300045
作者单位	Department of Science & Technology (India); Indian Association for the Cultivation of Science (IACS) - Jadavpur; SRM University-AP; SRM University-AP; Ruhr University Bochum
推荐引用方式 GB/T 7714	Bhattacharjee, Sudip,Tripathi, Anjana,Chatterjee, Rupak,et al. N-Heterocyclic Carbene Moiety in Highly Porous Organic Hollow Nanofibers for Efficient CO2 Conversions: A Comparative Experimental and Theoretical Study[J],2024,14(2).
APA	Bhattacharjee, Sudip,Tripathi, Anjana,Chatterjee, Rupak,Thapa, Ranjit,Mueller, Thomas E.,&Bhaumik, Asim.(2024).N-Heterocyclic Carbene Moiety in Highly Porous Organic Hollow Nanofibers for Efficient CO2 Conversions: A Comparative Experimental and Theoretical Study.ACS CATALYSIS,14(2).
MLA	Bhattacharjee, Sudip,et al."N-Heterocyclic Carbene Moiety in Highly Porous Organic Hollow Nanofibers for Efficient CO2 Conversions: A Comparative Experimental and Theoretical Study".ACS CATALYSIS 14.2(2024).