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- W1790420099 abstract "In the preparation of small organic paramagnets, these structures mayconceptually be divided into spin-containing units (SCs) and ferromagnetic couplingunits (FCs). The synthesis and direct observation of a series of hydrocarbon tetraradicalsdesigned to test the ferromagnetic coupling ability of m-phenylene, 1,3-cyclobutane, 1,3-cyclopentane, and 2,4-adamantane (a chair 1,3-cyclohexane) using Berson TMMs andcyclobutanediyls as SCs are described. While 1,3-cyclobutane and m-phenylene are goodferromagnetic coupling units under these conditions, the ferromagnetic coupling ability of1,3-cyclopentane is poor, and 1,3-cyclohexane is apparently an antiferromagneticcoupling unit. In addition, this is the first report of ferromagnetic coupling between thespins of localized biradical SCs. The poor coupling of 1,3-cyclopentane has enabled a study of the variabletemperature behavior of a 1,3-cyclopentane FC-based tetraradical in its triplet state.Through fitting the observed data to the usual Boltzman statistics, we have been able todetermine the separation of the ground quintet and excited triplet states. From this data,we have inferred the singlet-triplet gap in 1,3-cyclopentanediyl to be 900 cal/mol, inremarkable agreement with theoretical predictions of this number. The ability to simulate EPR spectra has been crucial to the assignments madehere. A powder EPR simulation package is described that uses the Zeeman and dipolarterms to calculate powder EPR spectra for triplet and quintet states. Methods for characterizing paramagnetic samples by SQUID magnetometry havebeen developed, including robust routines for data fitting and analysis. A precursor to apotentially magnetic polymer was prepared by ring-opening metathesis polymerization(ROMP), and doped samples of this polymer were studied by magnetometry. While thepresent results are not positive, calculations have suggested modifications in this structurewhich should lead to the desired behavior. Source listings for all computer programs are given in the appendix." @default.
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- W1790420099 date "1994-01-01" @default.
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- W1790420099 title "One-dimensional models for organic magnetic materials" @default.
- W1790420099 hasPublicationYear "1994" @default.
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