Journal
ORGANIC LETTERS
Volume 12, Issue 12, Pages 2798-2801Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ol100879t
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Funding
- National Science and Robert A. Welch Foundations
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [0910527] Funding Source: National Science Foundation
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Calculations on the role of tunneling in the degenerate Cope rearrangements of semibullvalene (1) and barbaralane (3) predict that, at temperatures below 40 K, tunneling from the lowest vibrational level should make the temperature-independent rate constants k = 1.43 x 10(-3) s(-1) and k = 7.28 x 10(-9) s(-1), respectively. An experiment, using semibullvalene-2(4)-d(1), is proposed to test the prediction of rapid tunneling by 1 at cryogenic temperatures.
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