The Optical Absorption and Electron Paramagnetic Resonance of Cu2+ Incorporated Dicalcium Lead Propionate.

Following γ-ray exposure, a room-temperature study of electron paramagnetic resonance (EPR) is conducted on Cu2+-doped dicalcium lead propionate (DCLP), Ca2Pb(C2H5COO)6. Cu2+ is found at four magnetically equivalent sites replacing Ca2+. EPR spectra are fitted to a rhombic symmetry Hamiltonian in order to determine the spin Hamiltonian parameters. The determined parameters are gx = 2.0245 ± 0.0002, gy = 2.1024 ± 0.0002, gz = 2.3476 ± 0.0002, Ax = (56 ± 2) × 10-4 cm-1, Ay = (78 ± 2) × 10-4 cm-1, and Az = (98 ± 2) × 10-4 cm-1. The experimental value of g-anisotropy is compared with the evaluated one. The wavefunction for the ground state is determined to be 0.999|x2 - y2> - 0.004|3z2 - r2>. The complex's bonding nature is determined with the aid of an optical study. The optical transitions dx2-y2 → dxy(2B1g → 2B2g), dx2-y2 → dxz,yz(2B1g → 2Eg), and dx2-y2 → d3 z2-r2(2B1g → 2A1g) are observed at 12,121, 18,691, and 25,316 cm-1, respectively. The molecular orbital coefficients α0 2, β1 2, β0 2, and β'2 and Fermi contact term K for Cu2+-doped DCLP are found as 0.63, 1.00, 1.00, 0.40, and 0.44, respectively.