. Author manuscript; available in PMC: 2010 Jun 30.

Published in final edited form as: Inorg Chem. 2009 May 18;48(10):4514–4523. doi: 10.1021/ic9002466

Table 1.

Properties of Copper(I) Complexes of Diketiminate and Formazan Ligands.

Ligand	E_1/2 (mV)^a	ν(CO) (exp., cm⁻¹)^b	ν(CO) (calc., cm⁻¹)^c	Reference
1	110	2083	2074	⁸ (exp), this work (calc)
2	411	2097	2082	⁸ (exp), this work (calc)
3	^d	2071	2070	this work
4	134	2100	2088	this work
5	103	2092	2084	this work

Measured for LCu(CH₃CN) in THF with TBAPF₆ (0.3 M) vs. Fc/Fc⁺.

Measured for Cu(I)-CO complex in THF.

Computed values for Cu(I)-CO complexes at mPW level after correction by 19 cm⁻¹, which is the difference between mPW and experiment for CO gas.

Value reported previously but under different conditions than used in this work (CH₃CN solvent), and this fact along with previously noted complications with reproducibility for this complex make comparison of ν(CO) values more useful for drawing comparisons among the complexes listed.^5b