SourceURL:file://localhost/Users/highjumpgirl26/Documents/acsabstract.docAn iron (II) complex was created with three slight variations known as Jar 1, Jar 2, and Jar 3. All molecules have a C3 symmetry axis. However, both Jar 1 and Jar 2 are at low spins states (S=0) but vary in bond length, while Jar 3 is at a high spin state (S=2) at low temperatures. Both Jar 1 and Jar 2 are capable of a spin crossover transition catalyzed by a change in temperature. Since the bond distances are a function of the spin state, the reproducibility of the characteristic was tested through computation. The aryl ligands on the iron atom had a shorter bond distance than the alkyl ligands. However, the higher spin state displayed the opposite trend for Fe-N aryl versus alkyl. Variation of beta values in hyper polarization data due to spin state was also investigated.

Iron (ii) complex spin crossover characteristics

245th National Meeting (2013)

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