Studies on the spin-Hamiltonian parameters of CuN6 clusters and their tetragonal distortions due to Jahn–Teller effect for Cu2+ in trigonal M(1-propyltetrazole)6(BF4)2 (M=Zn, Fe) crystals

EPR and ESE of CuS4 complex in Cu(dmit)2: g-Factor and hyperfine splitting correlation in tetrahedral Cu–sulfur complexes

“…The CT contribution to Dg || was evaluated as less than 10% for CuO 4 , CuN 4 [42] and CuCl 4 [2] complexes whereas the contribution to A || can reach 30% [42]. This contribution produces an increase in g || but it seems to be not significant since overall g || -value is low in CuS 4 complexes.…”

“…This imply crucial role of the sulfur orbitals. Moreover, a mixing of orbitals due to charge transfer transitions from bonding orbitals to antibonding ground state should be taking into account as it was proposed not only for tetrahedral complexes [2,[40][41][42]. MO-theory considering all contributions i.e.…”

Syntheses, Crystal Structures and Spectroscopic Studies of Bis[1‐methyl‐3‐(methoxycarbonylmethyl)‐benzimidazolium]2+ [CuBr4]2− and [ZnBr4]2− Compounds

“…Such choice of CT energies gives consistent results with EPR data. A charge transfer transitions contribution to EPR g‐factor has been considered for tetrahedral, square‐planar and octahedral Cu(II) complexes ,,…”