@article{wang_wang_li_nellutla_smirnova_oldfield_2011, title={An ENDOR and HYSCORE Investigation of a Reaction Intermediate in IspG (GcpE) Catalysis}, volume={133}, ISSN={["0002-7863"]}, DOI={10.1021/ja200763a}, abstractNote={IspG is a 4Fe-4S protein that carries out an essential reduction step in isoprenoid biosynthesis. Using electron-nuclear double resonance (ENDOR) and hyperfine sublevel correlation (HYSCORE) spectroscopies on labeled samples, we have specifically assigned the hyperfine interactions in a reaction intermediate. These results help clarify the nature of the reaction intermediate, supporting a direct interaction between the unique fourth Fe in the cluster and C2 and O3 of the ligand.}, number={22}, journal={JOURNAL OF THE AMERICAN CHEMICAL SOCIETY}, author={Wang, Weixue and Wang, Ke and Li, Jikun and Nellutla, Saritha and Smirnova, Tatyana I. and Oldfield, Eric}, year={2011}, month={Jun}, pages={8400–8403} }
 @article{zhao_nellutla_son_vaughn_ye_smith_caignaert_lufaso_pekarek_smirnov_et al._2011, title={Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra}, volume={50}, ISSN={["1520-510X"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-80053934262&partnerID=MN8TOARS}, DOI={10.1021/ic201374g}, abstractNote={Single crystals of a new iron-containing oxide, Ba(4)KFe(3)O(9), were grown from a hydroxide melt, and the crystal structure was determined by single-crystal X-ray diffraction. This ferrite represents the first complex oxide containing isolated 6-membered rings of corner-sharing FeO(4) tetrahedra. Mössbauer measurements are indicative of two tetrahedral high-spin Fe(3+) coordination environments. The observed magnetic moment (~3.9 μ(B)) at 400 K is significantly lower than the calculated spin-only (~5.2 μ(B)) value, indicating the presence of strong antiferromagnetic interactions in the oxide. Our density functional theory calculations confirm the strong antiferromagnetic coupling between adjacent Fe(3+) sites within each 6-membered ring and estimate the nearest-neighbor spin-exchange integral as ~200 K; next-nearest-neighbor interactions are shown to be negligible. The lower than expected effective magnetic moment for Ba(4)KFe(3)O(9) calculated from χT data is explained as resulting from the occupation of lower-lying magnetic states in which more spins are paired. X-band (9.5 GHz) electron paramagnetic resonance (EPR) spectra of a powder sample consist of a single line at g ~ 2.01 that is characteristic of Fe(3+) ions in a tetrahedral environment, thus confirming the Mössbauer results. Further analysis of the EPR line shape reveals the presence of two types of Fe(6) magnetic species with an intensity ratio of ~1:9. Both species have Lorentzian line shapes and indistinguishable g factors but differ in their peak-to-peak line widths (δB(pp)). The line-width ratio δB(pp)(major)/δB(pp)(minor) ~ 3.6 correlates well with the ratio of the Weiss constants, θ(minor)/θ(major) ~ 4.}, number={20}, journal={INORGANIC CHEMISTRY}, publisher={American Chemical Society (ACS)}, author={Zhao, Qingbiao and Nellutla, Saritha and Son, Won-Joon and Vaughn, Shae A. and Ye, Longfei and Smith, Mark D. and Caignaert, Vincent and Lufaso, Michael and Pekarek, Thomas M. and Smirnov, Alex I. and et al.}, year={2011}, month={Oct}, pages={10310–10318} }
 @article{nellutla_pati_jo_zhou_moon_pajerowski_yoshida_janik_balicas_lee_et al._2010, title={Magnetic field induced quantum phase transition of the S=1/2 antiferromagnet K2NaCrO8}, volume={81}, ISSN={["1098-0121"]}, DOI={10.1103/physrevb.81.064431}, abstractNote={The magnetic properties of alkali-metal peroxychromate ${\text{K}}_{2}{\text{NaCrO}}_{8}$ are governed by the $S=1/2$ pentavalent chromium cation, ${\text{Cr}}^{5+}$. Specific heat, magnetocalorimetry, ac magnetic susceptibility, torque magnetometry, and inelastic neutron-scattering data have been acquired over a wide range of temperature, down to 60 mK, and magnetic field, up to 18 T. The magnetic interactions are quasi-two-dimensional prior to long-range ordering, where ${T}_{N}=1.66\text{ }\text{K}$ in $H=0$. In the $T\ensuremath{\rightarrow}0$ limit, the magnetic field tuned antiferromagnetic to spin-polarized phase transition suggests a critical field ${\ensuremath{\mu}}_{\text{o}}{H}_{c}=7.270\text{ }\text{T}$ and a critical exponent $\ensuremath{\alpha}=0.481\ifmmode\pm\else\textpm\fi{}0.004$. The neutron data indicate the magnetic interactions may extend over intraplanar nearest-neighbor and interplanar next-nearest-neighbor spins.}, number={6}, journal={PHYSICAL REVIEW B}, author={Nellutla, S. and Pati, M. and Jo, Y. -J. and Zhou, H. D. and Moon, B. H. and Pajerowski, D. M. and Yoshida, Y. and Janik, J. A. and Balicas, L. and Lee, Y. and et al.}, year={2010}, month={Feb} }
 @article{mal_nori_jin_narayan_nellutla_smirnov_prater_2010, title={Reversible room temperature ferromagnetism in undoped zinc oxide: Correlation between defects and physical properties}, volume={108}, number={7}, journal={Journal of Applied Physics}, author={Mal, S. and Nori, S. and Jin, C. M. and Narayan, J. and Nellutla, S. and Smirnov, A. I. and Prater, J. T.}, year={2010} }