BIRADICALS

作品数：3被引量：2H指数：1
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相关期刊：《Science China Chemistry》《Chemical Research in Chinese Universities》更多>>
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Visible-light-induced organocatalyzed C(sp^(2))–H bond functionalization of 1,3-azoles with trifluoroacetylsilanes
《Science China Chemistry》2024年第11期3662-3668,共7页Zhengyu Li Zeguo Zhang Zhihan Zhang Gang Zhou Yizhi Zhang Shanshan Liu Xiao Shen 
supported by the National Key R&D Program of China (2022YFA1506100);the National Natural Science Foundation of China (21901191);the Fundamental Research Funds for the Central Universities (2042023kf0202);the China Postdoctoral Science Foundation (2023TQ0250)。
Previous carbene insertion to C–H bonds of 1,3-azoles relied on metal carbene species. Herein, we report a metal-free C(sp^(2))–H bond functionalization of 1,3-azoles with trifluoroacetylsilanes. The reaction featur...
关键词：C(sp^(2))–H bond functionalization CARBENES BIRADICALS CYCLOPROPANATION brook rearrangement 
Studies on Effect of Conformation on Spin Multiplicity of m-Phenylene Type of Biradicals by Different Approaches
《Chemical Research in Chinese Universities》2003年第4期489-493,共5页WANG Li-min ZHANG Jing-ping WANG Rong-shun 
Supported by the National Natural Science Foundation of China( No.2 980 4 0 0 2,2 0 2 74 0 0 6 ) ,FokYing-TungEducationFoundation( No.710 13) and Foundation of Northeast Normal University( No.1114 34)
The effect of the conformation on the spin multiplicity of the ground state and the stability of the ground state were investigated for m-phenylene type of biradicals by means of comparative study with DFT, CASSCF and...
关键词：m-Phenylene HIGH-SPIN CONFORMATION DFT CASSCF AM1-CI 
Effect of configuration and conformation on the spin multiplicity in xylylene type biradicals被引量：2
《Science China Chemistry》2000年第5期524-530,共7页张景萍 张宏 王立敏 王荣顺 王利祥 
The singlet-triplet splitting energy gap ΔEs-T= Es - ET is calculated for the ortho-, meta-, and para-xylylenes and their heteroatomic analogous by means of AM1-CI approach. It is shownthat when the radical centers R...
关键词：high-spin molecule BIRADICAL xylylene AM1-CI twisted conformation 
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