过渡金属催化的不饱和键双官能化在有机合成中具备广泛的应用.作为具有路易斯酸性的后过渡金属,金催化剂能够有效的实现不饱和键的双官能化.通常情况下,是通过采用强氧化剂产生Au(Ⅲ)/Au(Ⅰ)循环,或者通过与钯催化剂组成双金属体系实现此类反应.然而这两种方法分别需要当量的强氧化剂和当量的金催化剂.相比之下,通过将光催化引入金催化体系组成光-金双催化体系,1-2既可以避免上述两种当量试剂的使用,又能够高
The mechanisms of reductive functionalization of CO2 to formamide catalyzed by N-heterocyclic carbene (NHC)1a (Fig.1-(a), eq.1) were comprehensively studied with DFT calculations.
The mechanisms of trifluoromethylation with hypervalent iodine trifluoromethylation reagent (Tognis reagent 1)1 have been comprehensively studied by density functional theory (DFT) calculations.
A systematic theoretical study is reported on the mechanism of reductive elimination from arylPd(Ⅱ) trifluoromethyl complexes, an important elementary reaction for Pd-catalyzed trifluoromethylation re
A rhodium-catalyzed intramolecular formal hetero-[5 + 2] cycloaddition of vinyl aziridines with alkynes was recently reported for stereoselective synthesis of fused azepines.
Silver-mediated isocyanide-alkyne [3 + 2] cycloaddition has been developed as a new method for the synthesis of pyrroles.Density functional theory (DFT) calculations toward this reaction reveal that t
Density functional theory (DFT) study of the reactions of mononuclear phenolate diamine zinc hydride complexes and CO2 reveals a direct insertion mechanism with a rate-determining C-H bond formation s
Here we present a simple method to prepare nano-fluorogens through marriaging self-assembly of bolaamphiphiles and dyes with aggregation induced emission effect.The assemblies formed in solution are m
Selection of a suitable scaffold material for bioprinting is critical in tissue engineering.By programming the precise recognition of DNA hybridization, here we designed an in-situ assembled polypepti
Adenosine triphosphate (ATP), acting as the major energy substance in living cells, plays a key role in cellular metabolism, energy supplement and biochemical pathways for animals and plants1.The most