Computational Studies of 1,3-Dipolar [3 + 2]-Cycloaddition Reactions of Fullerene-C60 with Nitrones
نویسندگان
چکیده
منابع مشابه
1,3-Dipolar [3 + 2] cycloaddition reactions of N,C,C-trisubstituted nitrones with ring-acceptor methylenecyclopropanes: a computational study
BACKGROUND 1,3-Dipolar [3 + 2]-cycloaddition of nitrones to the carbon-carbon double bonds of methylenecyclopropanes yields a mixture of regioisomeric 4- and 5-isoxazolidines. The mechanisms of the reactions of N,C,C-trisubstituted nitrones with ring acceptor substituted dimethyl methylenecyclopropanes-1,2-dicarboxylate and aryl methylidene cyclopropanes-1,1-dicarboxylate have been investigated...
متن کاملA homo [3+2] dipolar cycloaddition: the reaction of nitrones with cyclopropanes.
Cycloadditions are among the most trusted of chemical transformations available to the synthetic chemist. The predictability of the transition state based on steric and electronic considerations allows for the strategic construction of complex molecular assemblies. While the Diels–Alder reaction has received the most attention, 1,3-dipolar cycloadditions have also maintained a place of prominen...
متن کاملA computational study of cycloaddition reactions of d8 metal tetroxide (iron, ruthenium, osmium) complexes with C60.
The potential energy surfaces of the cycloaddition reactions MO(4)(NC(5)H(5))(2) + C(60)→ MO(4)(NC(5)H(5))(2)(C(60)) (M = Fe, Ru, and Os) have been studied at the B3LYP/LANL2DZ level of theory. It has been found that there should be two competing pathways in these reactions, which can be classified as a [6,5]-attack (path A) and a [6,6]-attack (path B). Our theoretical calculations indicate tha...
متن کاملComputational study of cycloaddition reactions
Cycloaddition reactions between 1,3-butadiene and the C-terminated SiC(1 0 0)-c(2 · 2) surface have been addressed using quantum-chemical methods. The c(2 · 2) structure consists of ACBCA bridges between underlayer Si atoms which themselves form SiASi bonds. Of various possible reaction products, the one formed by a [2+ 4] reaction with the ACBCA bridge (giving a species resembling 1,4-cyclohex...
متن کاملRhodium(II)-Catalyzed 1,3-Dipolar Cycloaddition Reactions
The rhodium(II)-catalyzed formation of 1,3-dipoles has played a major role in facilitating the use of the dipolar cycloaddition reaction in modern organic synthesis. This is apparent from the increasing number of applications of this chemistry for the construction of heterocyclic and natural product ring systems. This chapter initially focuses on those aspects of rhodium(II) catalysis that cont...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Theoretical and Computational Science
سال: 2014
ISSN: 2376-130X
DOI: 10.4172/jtco.1000117