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Ab initio thermochemistry of some halogenated cyclopropanes
1Department of Chemistry, National University of Singapore, Singapore 117543, Singapore. chmigorn@nus.edu.sg
The Journal of Organic Chemistry
|August 17, 2002
Abstract:
The standard enthalpies of formation for a series of chloro- and fluoro-substituted cyclopropanes have been calculated by using high-level ab initio G3/B3LYP methods. The relative stabilities of isomers and the influence of substituents on thermochemistry in several classes of substituted derivatives are discussed.