Energy anisotropy as a function of the direction of spin magnetization for a doublet system.
This manuscript describes new phenomena that currently are not taken into account in both experimental EPR spectra interpretations and quantum chemical calculations of EPR parameters. This article presents an argument, with evidence, against the common belief that in the absence of an external magnetic field the total energy of a doublet system is independent of the spin orientation. Consequences of this phenomenon for interpretation of EPR experimental studies as well as for quantum chemical calculations of EPR parameters are discussed.
Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská Cesta 9, SK-84536 Bratislava, Slovakia.
Peter J
PJ
Cherry
Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská Cesta 9, SK-84536 Bratislava, Slovakia.
Vladimir G
VG
Malkin
Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská Cesta 9, SK-84536 Bratislava, Slovakia.
Olga L
OL
Malkina
Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská Cesta 9, SK-84536 Bratislava, Slovakia.
James R
JR
Asher