@article{sloop_shultz_coote_shepler_sullivan_kampf_boyle_2011, title={Synthesis of and structure-property relationships in zinc complexes of bis-metaphenylene semiquinone biradical species}, volume={25}, ISSN={0894-3230}, url={http://dx.doi.org/10.1002/poc.1917}, DOI={10.1002/poc.1917}, abstractNote={The design of novel, functionalized bis‐metaphenylene semiquinone (SQ) ligands and their corresponding metal complexes which combine conformational flexibility and electron‐withdrawing, electron‐donating, and conjugating substituents enable investigation of multiple structure–property relationships. Along these lines, we report the synthesis of three new bis(ZnII(SQ)TpCum,Me) complexes containing the bis‐metaphenylene coupling fragment. Using electron paramagnetic resonance spectroscopy, ab initio computations and superconducting quantum interference device magnetometry, we show how spin‐density is affected by the bis‐metaphenylene system substituents. Copyright © 2011 John Wiley & Sons, Ltd.}, number={4}, journal={Journal of Physical Organic Chemistry}, publisher={Wiley}, author={Sloop, Joseph C. and Shultz, David A. and Coote, Tashni and Shepler, Benjamin and Sullivan, Ubie and Kampf, Jeff W. and Boyle, Paul D.}, year={2011}, month={Aug}, pages={314–321} }
 @article{kirk_shultz_habel-rodriguez_schmidt_sullivan_2010, title={Hyperfine Interaction, Spin Polarization, and Spin Delocalization as Probes of Donor-Bridge-Acceptor Interactions in Exchange-Coupled Biradicals}, volume={114}, ISSN={["1520-5207"]}, DOI={10.1021/jp102955j}, abstractNote={Computations and EPR spectroscopy are used to probe the spin distribution of donor-bridge-acceptor (D-B-A) biradical complexes: Tp(Cum,Me)Zn(SQ-NN) (1), Tp(Cum,Me)Zn(SQ-1,4-Ph-NN) (2), Tp(Cum,Me)Zn(SQ-2,5-TP-NN) (3), and Tp(Cum,Me)Zn(SQ-2,5-Xyl-NN) (4) (SQ = orthosemiquinone and NN = nitronylnitroxide). These complexes are ground-state analogs of the charge-separated excited states formed in photoinduced electron transfer reactions. The intraligand magnetic exchange interaction (J) in these complexes is mediated by the bridges and has been found to stabilize the triplet ground states of 1 and 2. Detailed spectroscopic and bonding calculations have been used to elucidate the role of the bridge fragment (B) and its conformation relative to donor (SQ) and acceptor (NN) on spin density distributions. The computed results correlate well with experimental nitrogen hyperfine coupling constants.}, number={45}, journal={JOURNAL OF PHYSICAL CHEMISTRY B}, author={Kirk, Martin L. and Shultz, David A. and Habel-Rodriguez, Diana and Schmidt, Robert D. and Sullivan, Ubie}, year={2010}, month={Nov}, pages={14712–14716} }