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(24) In addition, we computed an alternative pathway leading to the
allene by rhodium insertion into the α-CH bond of the alkyne
followed by a subsequent hydrometalation. However, the calculated
barrier of this process renders it unlikely to occur. Details are reported
in the Supporting Information.
(25) A similar “oxidative protonation” of a rhodium complex bearing
an alkyne in the coordination sphere leading to a rhodium vinyl
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dx.doi.org/10.1021/ja411204d | J. Am. Chem. Soc. 2014, 136, 1097−1104