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. Author manuscript; available in PMC: 2009 Dec 3.
Published in final edited form as: J Am Chem Soc. 2008 Dec 3;130(48):16262–16273. doi: 10.1021/ja8044986

Table 6.

Total spin density and Mulliken charge on the Cu atom, the OPhF ligand and the HB(3,5-iPr2pz)3 for L1 and L3

Compound Cu phenO tpzb
L1(spin) 0.742 0.144 0.114
L3(spin) 0.794 0.090 0.117
L1(charge) 1.213 -0.557 -0.655
L3(charge) 1.438 -0.661 -0.777