AI Article Synopsis
- This review talks about how quantum chemistry, especially a method called density functional theory (DFT), helps scientists understand a special type of chemistry called FLP chemistry.
- It looks at different chemical reactions, like how FLPs activate hydrogen and how they work with other substances to create new things.
- The review also discusses how DFT helps explain important details like the specific areas where reactions happen and how different forces affect these reactions.
Article Abstract
This review endeavours to explore the power of quantum chemistry, especially density functional theory (DFT) to unravel mechanisms underlying the fascinating field of FLP chemistry. Apart from the fundamental mechanism of hydrogen activation by FLPs, borylation, silylation, polymerization, formation of heterocycles, reaction with small gaseous molecules, alkenes, terminal alkynes have also been reviewed. The role of DFT in understanding regio-selectivity, steric effects, London dispersion and covalent Interactions in FLPs are also discussed.
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| http://dx.doi.org/10.1016/j.jmgm.2021.107846 | DOI Listing |
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