. 2017 Mar 14;19(13):9028–9038. doi: 10.1039/c7cp00982h

Table 1. Experimental and calculated properties of the ligands and complexes considered in this work ^a .

Ligand	pK _a	E ⁰ (V)	ν exp CO (cm^–1)		ν calc CO (cm^–1)
Ligand	pK _a	E ⁰ (V)	Sym.	Asym.	Sym.	Asym.
bitiop	3.8	0.57	1995	1933	2022	1961
binap	2.9	0.63	1997	1936	2025	1965
tmbitianp	1.2	0.76	2003	1944	2028	1970
bitianp	1.1	0.83	2007	1947	2031	1973
bifurp ^b	–0.1	1.03	2012	1953	2036	1979
bimip	–1.16	1.15	2018	1961	2043	1986

^aExperimental basicity (pK _a, values from ref. 50) and electrochemical oxidative potential (E ⁰, values from ref. 27) of the free ligands. Experimental (νexpCO) and calculated (νcalcCO) symmetric and antisymmetric carbonyl stretching frequencies in the nickel complexes.

^bCalculated carbonyl stretching frequencies are a weighted average (0.66 : 0.34) of the two conformer contributions (see Section 2).

Table 1. Experimental and calculated properties of the ligands and complexes considered in this work a .

Table 1. Experimental and calculated properties of the ligands and complexes considered in this work ^a .