Inorganic Chemistry, Vol.53, No.2, 676-678, 2014
Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex
The work presented herein shows the experimental and theoretical studies of a mononuclear nickel(II) complex with the largest magnetic anisotropy ever reported. The zero-field-splitting D parameter, extracted from the fits of the magnetization and susceptibility measurements, shows a large value of -200 cm(-1), in agreement with the theoretical value of -244 cm(-1) obtained with the CASPT2-RASSI method.