Evaluation of potential ferromagnetic coupling units: the bis(TMM) [bis(trimethylenemethane)] approach to high-spin organic molecules

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Abstract

Four new hydrocarbon tetraradicals, 1-4, each composed of two triplet trimethylenemethane (TMM) subunits linked
\nby a potential ferromagnetic coupling unit (FC), were synthesized and characterized by variable-temperature electron paramagnetic resonance (EPR) spectroscopy. Simulation of the EPR powder spectra and a priori calculation of the zero-field splitting parameters
\naided spectral assignment. The Heisenberg Hamiltonian appears to quantitatively model relative spin-state energies in 1-4. In three cases ferromagnetic coupling was achieved, as evidenced by quintet ground states in the resulting tetraradicals. In one case, strong evidence for antiferromagnetic coupling was obtained.

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