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Dr. Glaser's Visualization Center
To accompany Bruice, Organic Chemistry, 3/e, Chapter 8


Theme Molecule Name Chemical Formula
Structures of Neutral Radicals methyl radical (S) CH3
Structures of Neutral Radicals vinyl radical (S) H2C=CH
Structures of Neutral Radicals ethyl radical (S) C2H5
Structures of Neutral Radicals sec.-propyl radical (S) HC(CH3)2
Structures of Neutral Radicals tert.-butyl radical (S) C(CH3)3
Structures of Neutral Radicals allyl radical (S) C3H5
Structures of Neutral Radicals benzyl radical (S) C7H7
Structures of Neutral Radicals cyclohexyl radical (S) C6H11
Structures of Neutral Radicals cyclopropyl radical (S) C3H5
Transition States For Hydrogen Abstraction fluorine radical abstracts from methane (S) H3C--H----F
Transition States For Hydrogen Abstraction chlorine radical abstracts from methane (S) H3C---H---Cl
Transition States For Hydrogen Abstraction bromine radical abstracts from methane (S) H3C----H--Br
Structures of Radical Inhibitors vitamin C (L-ascorbic acid) (S) C6H8O6

[a] All radical structures were optimized at correlated level UMP2(full)/6-31G*.
[b] Vitamin C was optimized at the RHF/6-31G* level and no full search of the conformation space was performed. [c] All transition state structures were optimized at the correlated level UMP2(full)/6-31G* and vibrational analysis were carried out analytically for the stationary structures.