EPR Spectrum of CuPF3

Article abstract of DOI:10.1021/j100182a022

CuPF3 is formed from Cu atoms and PF3 on solid adamantane at 77 K in a rotating cryostat.It has the magnetic parameters a₆₃ = 4205 +/- 10 MHz, a₃₁ = 1100 +/- 10MHz, a₁₉ = 90 +/- 10MHz, and g = 1.999 +/- 0.002, has a ²A₁ electronic ground state in the point group C_3v, and can be considered to be a copper-centered radical and not a phosphoranyl formed by addition of a Cu atom to PF3.About 70percent of the unpaired spin is located in the metal 4s orbital, 8percent in the P 3s orbital, and 0.5percent in the F 2s orbitals for a total unpaired spin s population of 78.5percent.The remaining 21.5percent of unpaired spin is probably located in Cu 4p orbital.Cu₃ is also formed in adamantane and does not appear to react with PF₃.Cu₇ rather than CuPF₃ is formed in solid cyclohexane and is also unreactive toward PF%.