All Faculty and Research Staff Publications

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Brunold TC, Solomon EI. Reversible dioxygen binding to hemerythrin. 2. Mechanism of the proton- coupled two-electron transfer to O2 at a single iron center. Journal of the American Chemical Society. 1999 ;121:8288-8295.
Brunold TC, Gudel HU, Kuck S, Huber G. Excited-state absorption and laser potential of Mn6+-doped BaSO4 crystals. Journal of the Optical Society of America B-Optical Physics. 1997 ;14:2373-2377.
Brunold TC, Gudel HU. Absorption and luminescence spectroscopy of manganese-doped BaSO4 crystals. Chemical Physics Letters. 1996 ;257:123-129.
Brunold TC. Synthetic iron-oxo "diamond core" mimics structure of key intermediate in methane monooxygenase catalytic cycle. Proceedings of the National Academy of Sciences of the United States of America. 2007 ;104:20641-20642.
Brunold TC, Gudel HU. Absorption and luminescence spectroscopy of MnO42--doped crystals of BaSO4. Inorganic Chemistry. 1997 ;36:1946-1954.
Brunold TC, Tamura N, Kitajima N, Moro-Oka Y, Solomon EI. Spectroscopic study of [Fe2(O2)(OBz)2{HB(pz')3}2]: Nature of the μ-1,2 peroxide-Fe(III) bond and its possible relevance to O2 activation by non-heme iron enzymes. Journal of the American Chemical Society. 1998 ;120:5674-5690.
Brunold TC, Hazenkamp MF, Gudel HU. Luminescence of CrO4(3-) and MnO4(2-) in various hosts. Journal of Luminescence. 1997 ;72-4:164-165.
Brunold TC, Gudel HU. Near-infrared emission form MnO42- in various host lattices. Chemical Physics Letters. 1996 ;249:77-80.
Brunold TC, Gamelin DR, Solomon EI. Excited-state exchange coupling in bent Mn(III)-O-Mn(III) complexes: Dominance of the π/σ superexchange pathway and its possible contributions to the reactivities of binuclear metalloproteins. Journal of the American Chemical Society. 2000 ;122:8511-8523.
Brunold TC, Conrad KS, Liptak MD, Park K. Spectroscopically validated density functional theory studies of the B-12 cofactors and their interactions with enzyme active sites. Coordination Chemistry Reviews. 2009 ;253:779-794.
Brunold TC, Gudel HU, Cavalli E. Optical spectroscopy of Ni2+ doped crystals of Zn2SiO4. Chemical Physics Letters. 1997 ;268:413-420.
Brunold TC, Hauser A, Gudel HU. ABSORPTION AND LUMINESCENCE SPECTROSCOPY OF FERRATE(VI) DOPED INTO CRYSTALS OF K2MO4 (M=S, SE, CR, MO). Journal of Luminescence. 1994 ;59:321-332.
Brunold TC, Craft JL, Ludden PW. Spectroscopic insights into the molecular mechanism of CO oxidation catalyzed by CO dehydrogenase. Journal of Inorganic Biochemistry. 2001 ;86:160-160.
Brunold TC, Gudel HU, Cavalli E. Absorption and luminescence spectroscopy of Zn2SiO4 willemite crystals doped with Co2+. Chemical Physics Letters. 1996 ;252:112-120.
Brunold TC, Gamelin DR, Stemmler TL, Mandal SK, Armstrong WH, Penner-Hahn JE, Solomon EI. Spectroscopic studies of oxidized manganese catalase and μ-oxo-bridged dimanganese(III) model complexes: Electronic structure of the active site and its relation to catalysis. Journal of the American Chemical Society. 1998 ;120:8724-8738.
Brunold TC, Gudel HU, Hazenkamp MF, Huber G, Kuck S. Excited state absorption measurements and laser potential of Cr4+ doped Ca2GeO4. Applied Physics B-Lasers and Optics. 1997 ;64:647-650.
Brunold TC, Gudel HU, Kuck S, Huber G. Excited state properties of ferrate(VI) doped crystals of K2SO4 and K2CrO4. Journal of Luminescence. 1995 ;65:293-301.
Brunold TC. Combined spectroscopic/computational studies of metal centers in proteins and cofactors: Application to coenzyme B-12. Chimia. 2004 ;58:186-193.
Brunold TC, Gudel HU, Riley MJ. Jahn-Teller effect in the ground and excited states of MnO42- doped into Cs2SO4. Journal of Chemical Physics. 1996 ;105:7931-7941.
Brunold TC, Solomon EI. Reversible dioxygen binding to hemerythrin. 1. Electronic structures of deoxy- and oxyhemerythrin. Journal of the American Chemical Society. 1999 ;121:8277-8287.
Brunold TC, Gudel HU, Kaminskii AA. Optical spectroscopy of V4+ doped crystals of Mg2SiO4 and Ca2GeO4. Chemical Physics Letters. 1997 ;271:327-334.
Brunold TC, Hazenkamp MF, Gudel HU. MANGANATE(VI) - A NOVEL NEAR-INFRARED BROAD-BAND EMITTER. Journal of the American Chemical Society. 1995 ;117:5598-5599.
Brunold TC. Spectroscopic and computational insights into the geometric and electronic properties of the A-cluster of acetyl-coenzyme A synthase. Journal of Biological Inorganic Chemistry. 2004 ;9:533-541.
Brunold TC, Gudel HU. Ruthenium(VI) doped into single crystals with the BaSO4 and beta-K2SO4 structures: Optical absorption spectra of RuO42. Inorganic Chemistry. 1997 ;36:2084-2091.