journal article·2024-05-23

Theoretical Perspective on the Design of Surface Frustrated Lewis Pairs for Small-Molecule Activation

Zheng-Qing Huang, Xue Su, Xi-Yang Yu, Tao Ban, Xin Gao, Chun-Ran Chang

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Abstract

The excellent reactivity of frustrated Lewis pairs (FLP) to activate small molecules has gained increasing attention in recent decades. Though the development of surface FLP (SFLP) is prompting the application of FLP in the chemical industry, the design of SFLP with superior activity, high density, and excellent stability for small-molecule activation is still challenging. Herein, we review the progress of designing SFLP by surface engineering, screening natural SFLP, and the dynamic formation of SFLP from theoretical perspectives. We highlight the breakthrough in fine-tuning the activity, density, and stability of the designed SFLP studied by using computational methods. We also discuss future challenges and directions in designing SFLP with outstanding capabilities for small-molecule activation.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Organoboron and organosilicon chemistry · Boron Compounds in Chemistry · Catalytic Cross-Coupling Reactions

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Shaanxi Key Laboratory of Energy Chemical Process Intensification, School of Chemical Engineering and Technology, Xi’an Jiaotong University, Xi’an, Shaanxi 710049, China

Key Laboratory of Coal Cleaning Conversion and Chemical Engineering Process, School of Chemical Engineering and Technology, Xinjiang University, Urumqi, Xinjiang 830017, China

Shaanxi Key Laboratory of Low Metamorphic Coal Clean Utilization, School of Chemistry and Chemical Engineering, Yulin University, Yulin, Shaanxi 719000, China

Funding

Dalian National Laboratory for Clean Energy · National Key Research and Development Program of China · Yulin University · China Postdoctoral Science Foundation · National Natural Science Foundation of China

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