Computed global electrophilicity indexes (ω) for benzaldehydes 2 together with reaction barriers (ΔE^‡) and EDA terms (in kcal mol⁻¹, computed at the ZORA-M06-2X/TZ2P//M06-2X/6-311+G* level)^a of the reactions of 2 and CN⁻.

System	ΔE‡	ω	ΔEstrain	ΔEint	ΔEPauli	ΔVelstat	ΔEorb (ΔEorb(ρ1))
2-R
2-NMe2	9.0	1.1	9.1	−13.5	58.9	−34.0	−38.3 (−33.7)
2-tBu	8.6	1.4	6.3	−15.1	58.8	−35.3	−38.6 (−34.3)
2-Me	8.4	1.5	5.9	−14.8	58.8	−35.5	−38.1 (−34.2)
2-H	8.2	1.6	6.1	−15.8	58.7	−36.6	−37.8 (−34.4)
2-Br	7.1	1.8	6.2	−20.0	59.1	−40.0	−39.2 (−35.1)
2-CF3	5.9	1.9	6.3	−22.5	59.2	−42.7	−39.1 (−35.8)
2-CN	5.3	2.2	5.7	−24.9	59.6	−44.4	−40.0 (−36.4)
2-NO2	4.9	2.5	5.9	−26.3	59.8	−45.7	−40.4 (−37.0)

^aComputed at the same consistent C⋯C bond-forming distance of 2.232 Å