Understanding the Mechanism and Selectivities of the Reaction of Meta-Chloroperbenzoic Acid and Dibromocarbene with <i>β</i>-Himachalene: A DFT Study

<table class="table-group" id="tab1"><tr><td><table class="table"><tr><td class="thead-hr" colspan="5"><hr/></td></tr><tr class="thead"><td class="align_left">Reactants</td><td class="align_center"><i>µ</i></td><td class="align_center"><i>η</i></td><td class="align_center"><i>⍵</i></td><td class="align_center"><i>N</i></td></tr><tr><td class="thead-hr" colspan="5"><hr/></td></tr><tr><td class="align_left"><i>β</i>-Himachalene</td><td class="align_center">−2.99</td><td class="align_center">5.90</td><td class="align_center">0.76</td><td class="align_center">3.19</td></tr><tr><td class="align_left">m-CPBA</td><td class="align_center">−4.74</td><td class="align_center">5.23</td><td class="align_center">2.14</td><td class="align_center">1.77</td></tr><tr class="table-tr"><td colspan="5"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

<div>Electronic chemical potential (<i>μ</i>), chemical hardness (<i>η</i>), electrophilicity (<i>ω</i>), and nucleophilicity (<i>N</i>) of <i>β</i>-himachalene and m-CPBA (eV).</div>

Heteroatom Chemistry

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Table 1

Table 1: Understanding the Mechanism and Selectivities of the Reaction of Meta-Chloroperbenzoic Acid and Dibromocarbene with <i>β</i>-Himachalene: A DFT Study 

Table 1 | Understanding the Mechanism and Selectivities of the Reaction of Meta-Chloroperbenzoic Acid and Dibromocarbene with β-Himachalene: A DFT Study 