$\alpha$-METHYL C-H BOND STRENGTH: A MO ANALYSIS
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Publisher:Ohio State University
We have carried out full structure determinations on several small hydrocarbon molecules with methyl groups using the ASED-MO method. Methyl rotational conformations are found to match experimental observations. $\alpha$-methyl C-H bonding was studied for each of the molecules. A correlation has been found between the radical energy level position of the unrelaxed fragment and the C-H bond strength as determined by overtone vibrational studies of Fang. et al. This correlation can be understood using a perturbation argument.
Author Institution: Department of Chemistry, Case Western Reserve University Cleveland; The Standard Oil Company (Ohio) Corporate, Research Center
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