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

Table 4

Electronic chemical potential (μ), chemical hardness (η), electrophilicity (ω), and nucleophilicity (N) of the major product (P_α) and CBr₂ calculated at B3LYP/6-311 + G (d, p) level (eV).

	Pα	CBr2
µ	−3.26	−5.52
Η	6.38	3.41
⍵	0.83	4.46
N	2.68	1.91
∆Nmax	−0.51	−1.61