Research Article

Topological Model on the Inductive Effect in Alkyl Halides Using Local Quantum Similarity and Reactivity Descriptors in the Density Functional Theory

Table 7

Global reactivity indexes.

Compounds
(eV)

(eV)
IPc
(eV)
EAd
(eV)

(eV)

CH3–F−3.145.979.10−2.830.83
CH3–Cl−4.093.978.060.122.10
CH3–Br−3.813.603.600.212.02

: chemical potential.
: chemical hardness.
IPc: Ionization potential.
EAd: electron affinity.
: electrophilicity.