Crystal field energy levels for various symmetries

Electronic spectra of low-symmetry d1 and d9 ion complexes

“…The 02/04 ratios employed in these calculations were all set equal to 0.9. This ratio is consistent with previous work (25) as well as several other calculations (31) we have performed.…”

“…Generally, 02 is obtained by assuming (8,16,25) an cti/ot4 ratio of about 1.0 rather than using theoretical ratios of two or more. This is due to the failure of the simple crystal field approach which has been discussed in the cited references.…”

Energy levels of d1 and d9 ions in chemically significant symmetry sites

“…While this is true in principle, and could be easily implemented with the computer, the solution by hand of any determinant larger than 2 X 2 is not a fruitful exercise. In isolated instances it has been shown that closed form solutions can be written for specific geometric configurations (3,4). In this article it will be shown that the energy levels of a d1 or d9 electronic system can be written in closed form for almost every chemically significant geometry.…”

EPR and Magnetic Studies on γ:bis(N‐Methyl Salicylaldimine) Copper(II)

“…2B, is usually the ground state [13]. Each Cu(I1) ion within a dimer is also coupled by exchange interaction of the form (J being the intradimer exchange integral)…”

“…Each metal atom has a distorted planar coordination of two nitrogen and two oxygen atoms a t distances ranging between 1.87 and 1.99 A and each is displaced out of its coordinate plane, by 0.11 and 0. 13 A, respectively, towards the fifth donor oxygen atom which forms one of the basal corners of the copper in the companion molecule. X-ray distances between the copper ions within the dimer and those between the nearest magnetically non-equivalent Cu(I1) ions are 3.35 and 7 A, respectively.…”