https://www.selleckchem.com/pr....oducts/elenestinib-p
The structure of 3 is quite rare in that it lacks the typical RhII-RhII σ bond, but significant orbital overlap between the Rh 4d z 2 and S 3p z orbitals results in a strong antiferromagnetic coupling (computed J = -1516.9 cm-1). Complex 3 also absorbs low-energy light (λmax = 779 nm). Spectroscopic and magnetic measurements are supported by density functional theory methods, which further elucidate the nature of the ground state energies, frontier orbital characters, excited state transitions, and presence of weak Rh-Rh n
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