Reaction	M			b
			BP86	B3-LYP	ε = 8.93	ε = 13.8
6	M(CO)6 + [NO]+ ⇌ [M(CO)6]+ + NO	Cr	−71	−143
		Mo	−82	−121
		W	−84	−119
7	M(CO)6 + [NO]+ ⇌ [M(CO)5(NO)]+ + CO	Cr	−240	−245
		Mo	−252	−255
		W	−254	−255
8	M(CO)6 + [Agl2]+ ⇌ [M(CO)6l]+ + Agl	Cr	58	66	64	63
		Mo	8	14	14	13
		W	−8	−6	−1	−1

^aThe F⁻ is weakly bound to the metal (Cr–F distance: 260 pm) – in the actual minimum structure (Δ ≈−30 kJ mol⁻¹), the F⁻ is bound to the CO as an acyl fluoride.

^bCOSMO solution thermodynamics in CH₂Cl₂ (ε = 8.93) and oDFB (ε = 13.8) with the BP86 functional.

^cFIA referenced to [Si(CH₃)₃]⁺ (gas-phase FIA = 958 kJ mol⁻¹, solution FIA = 404 (CH₂Cl₂)/370 (oDFB) kJ mol⁻¹).