Publications

 undergraduate co-authors denoted in italics

62. "Copper catalysed aerobic oxidation of benzylic alcohols in an imidazole containing N4 ligand framework" Jain, R.; Gibson, T. J.; Mashuta, M. S.; Buchanan, R. M.; Grapperhaus C. A. Dalton Trans., 2016, 45, 18356-18364 (10.1039/C6DT03395D)

61. "Reversible Methanol Addition to Copper Schiff Base Complexes: A Kinetic, Structural, and Spectroscopic Study of Reactions at Azomethine C=N Bonds" Zhang, W.; Saraei, N.; Hanlin, N.; Vaugh, J. R.; Jones, A. S.; Mashuta, M. S.; Buchanan, R. M.; Grapperhaus C. A. Dalton Trans., 2016, 45, 15791-15799 (10.1039/C6DT01955B)

60. "Beyond Metal-Hydrides: Non-Transition-Metal and Metal-Free Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation"  Haddad, A. Z.; Garabato, B. D.; Kozlowski, P. M.; Buchanan, R. M.; Grapperhaus, C. A. J. Am. Chem. Soc. 2016, 138, 7844-7847 (10.1021/jacs.6b04441)

59. "Proposed Ligand-Centered Electrocatalytic Hydrogen Evolution and Hydrogen Oxidation at a Noninnocent Mononuclear Metal-Thiolate" Haddad, A. Z.; Kumar, D.; Sampson, K. O.; Matzner, A. M.; Mashuta, M. S.; Grapperhaus, C. A. J. Am. Chem. Soc. 2015, 137, 9238-9241 (10.1021/jacs.5b05561)

58. "Metal-centered oxidation decreases nitrile hydration activity of bioinspired (N2S3)Ru-PPh3 precatalysts" Kumar, D.; Mashuta, M. S.; Grapperhaus, C. A. Inorg. Chem. Commun. 201561, 197-199 (10.1016/j.inoche.2015.10.001)

57. "Chemiresistive metal-stabilized thiyl radical films as highly selective ethylene sensors" Chauhan, R.; Moreno, M.; Banda, D. M.; Zamborini, F. P.; Grapperhaus, C. A. RSC Adv. 2014, 4, 46787-46790 (Doi 10.1039/C4ra07560a)

56. "Kinetic Effects of Sulfur Oxidation on Catalytic Nitrile Hydration: Nitrile Hydratase Insights from Bioinspired Ruthenium(II) Complexes"  Kumar, D.; Nguyen, T. N.; Grapperhaus, C. A. Inorg. Chem. 201453, 12372-12377 (Doi 10.1021/Ic501695n)

55. "Sulfur-Oxygenation Enhances Ligand Exchange in Nitrile Hydratase Inspired Ruthenium(II) Complexes" Masitas, C. A.; Mashuta, M. S.; Grapperhaus C. A. ACS Symposium Series, Volume 1152 Biochalcogen Chemistry: The Biological Chemistry of Sulfur, Selenium, and Tellurium, Chapter 4, 2013, pp 71-87

54. "Reinvestigation of the first structurally characterized metal-coordinated sulfenic acid complex" Chauhan, R.; Mashuta, M. S.; Grapperhaus, C. A. Inorg. Chem. Commun. 2013, 37, 186-188

ICC2013

53. "Addition of polysubstituted alkenes, aromatic alkynes, and dienes to a metal-stabilized thiyl radical via carbon-sulfur bond formation: Electrochemical, chemical, and computational investigations" Sampson, K. O.; Kumar, D.; Mashuta, M. S.; Grapperhaus, C. A. Inorg. Chim. Acta 2013, 408, 1-8 

52. "Probing the Reactivity and Radical Nature of Oxidized Transition Metal-Thiolate Complexes by Mass Spectrometry" Lu, M.; Campbell, J. L.; Chauhan, R.; Grapperhaus, C. A. ; Chen, H. J. Am. Soc. Mass. Spec. 2013, 24, 502-512 

51. "Bioinspired catalytic nitrile hydration by dithiolato, sulfinato/thiolato, and sulfenato/sulfinato ruthenium complexes" Kumar, D.; Masitas, C. A.; Tran, T. N.; Grapperhaus, C. A. Chem. Commun. 2013, 294–296

ChemComm2013

50. "Selective and Reversible Base-Induced Elimination of a Ruthenium Dithioether Yields a Vinyl Metallosulfonium Complex" Chauhan, R.; Mashuta, M. S.; Grapperhaus, C. A. Inorg. Chem. 2012, 51, 7913–7920

49. "Influence of Sequential Thiolate Oxidation on a Nitrile Hydratase Mimic Probed by Multiedge X-ray Absorption Spectroscopy" Shearer, J.; Callant, P. E.; Masistas, C. A.; Grapperhaus, C. A. Inorg. Chem. 2012, 51, 6032-6045

48. "Alkyne addition to a metal-stabilized thiyl radical: Carbon-sulfur bond formation between 1-octyne and [Ru(SP)3]+
Ouch, K.; Mashuta, M. S.; Grapperhaus, C. A. Eur. J. Inorg. Chem. 2012, 475-478

47. "Kinetic study of nickel-thiolate oxygenation by hydrogen peroxide. Implications for nickel-containing superoxide dismutase" 
Herdt, D. R.; Grapperhaus, C. A. Dalton Trans. 2012, 41, 364-366

46. "N-(2-formyl-1-methylimidazol-4-yl)-2,2-dimethylpropanamide: A versatile reagent for preparing imidazole-amine ligands with variable second-coordination spheres" 
Cheruzel, L. E.; Cui, J. L.; Mashuta, M. S.; Grapperhaus, C. A.; Buchanan, R. M.  Tetrahedron Lett. 2011, 52, 4771-4774

45. "Metal-Stabilized Thiyl Radicals as Scaffolds for Reversible Alkene Addition via C-S Bond Formation/Cleavage" 
Ouch, K.; Mashuta, M. S.; Grapperhaus, C. A. Inorg. Chem. 2011, 50, 9904–9914.

44. "Controlled Sulfur Oxygenation of the Ruthenium Dithiolate (4,7-Bis-(2′-methyl-2′-mercaptopropyl)-1-thia-4,7-diazacyclononane)RuPPh3 under Limiting O2 Conditions Yields Thiolato/Sulfinato, Sulfenato/Sulfinato, and Bis-Sulfinato Derivatives" Masitas, C. A.; Kumar, M.; Mashuta, M. S.; Kozlowski, P. M.; Grapperhaus, C. A. Inorg. Chem. 2010, 49, 10875-10881.

IC2010

43. "Synthesis, Structure, and Solution Properties of [(mim-TASN)FeCl2]+ and Its μ-Oxo Derivative" Cui, J.; Mashuta, M. S.; Buchanan, R. M.; Grapperhaus, C. A. Inorg. Chem. 2010, 49, 10427-10435.

42. "Asymmetric Oxygenation of a Ruthenium Dithiolate Mimics the Mixed Sulfenato/Sulfinato Donor Sets of Nitrile Hydratase and Thiocyanate Hydrolase" Masitas, C. A.; Mashuta, M. S.; Grapperhaus, C. A. Inorg. Chem. 2010, 49, 5344-5346.

41. "Supramolecular Assembly of a Dinuclear Ag(I) Complex with Discreet Ag2S2 Centers" Grapperhaus, C. A.; Cui, J.; Buchanan, R. M.; Mashuta, M. S. Inorg. Chem. Comm. 2009, 12, 1091-1093.

40. "Synthesis and Sulfur Oxygenation of a (N3S)Ni Complex Related to Nickel-Containing Superoxide Dismutase" Mullins, C. S.; Grapperhaus, C. A.; Frye, B. C.; Wood, L. H.; Hay, A. J.; Buchanan, R. M.; Mashuta, M. S. Inorg. Chem. 2009, 48, 9974-9976.

39. "N2S3X-Fe Models of Nitrile Hydratase" O'Toole, M. G.; Grapperhaus, C. A. In Bioinorganic Chemistry, American Chemical Society: Washington DC, 2009, 99-113.

38. "Substrate Binding Preferences and pKa Determinations of a Nitrile Hydratase Model Complex: Variable Solvent Coordination to [(bmmp-TASN)Fe]OTf" O'Toole, M. G.; Bennett, B.; Mashuta, M. S.; Grapperhaus, C. A. Inorg. Chem. 2009, 482300-2308.

37. "Redox-Regulated Ethylene Binding to a Rhenium-Thiolate Complex" Grapperhaus, C. A.; Ouch, K.; Mashuta, M. S. J. Am. Chem. Soc. 2009, 131, 64-65.

JACS2009

36. "Spin-State-Dependent Oxygen Sensitivity of Iron Dithiolates: Sulfur Oxygenation or Disulfide Formation" O'Toole, M. G.; Kreso, M.; Kozlowski, P. M.; Mashuta, M. S.; Grapperhaus, C. A. J. Biol. Inorg. Chem. 2008, 13, 1219-1230.

JBIC2008

35. "Hg(II) and Cd(II) Complexes with Mixed Donor Macrocyclic Thioethers: The Oxophobicity of Mercury(II)" Grant, G. J.; Botros, M. E.; Hassler, J. S.; Janzen, D. E.; Grapperhaus, C. A.; O'Toole, M. G.; VanDerveer, D. G. Polyhedron 2008, 27, 3097-3104.

34. "An Experimental and Computational Study of Sulfur-Modified Nucleophilicity in a Dianionic NiN2S2 Complex" Green, K. N.; Brothers, S. M.; Jenkins, R. M.; Carson, C. E.; Grapperhaus, C. A.; Darensbourg, M. Y. Inorg. Chem. 2007, 46, 7536-7544.

33. "Carbon-Sulfur Bond Formation via Alkene Addition to an Oxidized Ruthenium Thiolate" Grapperhaus, C. A.; Venna, K. B.; Mashuta, M. S. Inorg. Chem. 2007, 46, 8044-8050.

32. "{3,3 '-[Ethane-1,2-diylbis(methylimino)]-bis(propane-1-thiolato)}nickel(II)" Grapperhaus, C. A.; O'Toole, M. G.; Mashuta, M. S. Acta Cryst. Section E 2007, 63, M2281-U317.

31. "Singlet Diradical Character of an Oxidized Ruthenium Trithiolate: Electronic Structure and Reactivity" Grapperhaus, C. A.; Kozlowski, P. M.; Kumar, D.; Frye, H. N.; Venna, K. B.; Poturovic, S. Angew. Chem., Int. Ed. Engl. 2007, 46, 4085-4088.

30. "Density Functional Theory Investigations of NiN2S2 Reactivity as a Function of Nitrogen Donor Type and N-H...S Hydrogen Bonding Inspired by Nickel-Containing Superoxide Dismutase" Mullins, C. S.; Grapperhaus, C. A.; Kozlowski, P. M. J. Biol. Inorg. Chem. 2006, 11, 617-625.

29. "Synthesis and Structure of the Tetradeca-Iron(III) Oxide-Alkoxide Cluster [Bu4N]2[Fe14O8(OCH2CH3)20Cl8]" Grapperhaus, C. A.; O'Toole, M. G.; Mashuta, M. S. Inorg. Chem. Comm. 2006, 9, 1204-1206.

ICC2006

28. "Ethyl 1-methylimidazole-2-carboxylate." Frye, B. C.; Mashuta, M. S.; Mullins, C. S.; Grapperhaus, C. A.; Buchanan, R. M. Acta Cryst. Section E 2006, 62, O1548-O1549.

27. "Carbon-Sulfur Bond Formation between a Ruthenium-Coordinated Thiyl Radical and Methyl Ketones" Poturovic, S.; Grapperhaus, C. A.; Mashuta, M. S. Angew. Chem., Int. Ed. Engl. 2005, 44, 1883-1887.

AngewChemie2005

26. "Oxygenation of a Ruthenium(II) Thiolate to a Ruthenium(II) Sulfinate Proceeds via Ruthenium(III)" Grapperhaus, C. A.; Poturovic, S.; Mashuta, M. S. Inorg. Chem. 2005, 44, 8185-8187.

25. "Structural comparison of alkylated derivatives of (bmmp-dmed)Ni and (bmmp-dmed)Zn" Grapperhaus, C. A.; Mullins, C. S.; Mashuta, M. S. Inorg. Chim. Acta 2005, 358, 623-632.

24. "Template synthesis of N2S and N3S chelates via alkylation of bis(2-aminoethanethiolato)Ni: sulfur and nitrogen-centered alkylations" Grapperhaus, C. A.; Kreso, M.; Burkhardt, G. A.; Roddy, J. V. F.; Mashuta, M. S. Inorg. Chim. Acta 2005, 358, 123-130.

23. "Structural, spectroscopic, and computational study of an octahedral, non-heme {Fe-NO}6-8 series: Fe(NO)(cyclam-ac)2+/+/0Serres, R. G.; Grapperhaus, C. A.; Bothe, E.; Bill, E.; Weyhermuller, T.; Neese, F.; Wieghardt, K. J. Am. Chem. Soc. 2004, 126, 5138-5153.

22. "Electrochemical investigations of the [tris(2-(diphenylphosphino)thiaphenolato)ruthenate(II)] monoanion reveal metal- and ligand-centered events: Radical, reactivity, and rate" Grapperhaus, C. A.; Poturovic, S. Inorg. Chem. 2004, 43, 3292-3298.

21. "Synthesis and oxygenation of a nickel(II) and zinc(II) dithiolate: An experimental and theoretical comparison" Grapperhaus, C. A.; Mullins, C. S.; Kozlowski, P. M.; Mashuta, M. S. Inorg. Chem. 2004, 43, 2859-2866.

IC2004

20. "Hydrogen-bond networks in the mono- and diprotonated cyclic diamine [9]aneN2S." Grapperhaus, C. A.; Li, M.; Gibson, E. R.; Mashuta, M. S. J. Chem. Cryst. 2004, 34, 5-11.

19. "Synthesis and characterization of N2S3X-Fe models of iron-containing nitrile hydratase." Grapperhaus, C. A.; Li, M.; Patra, A. K.; Poturovic, S.; Kozlowski, P. M.; Zgierski, M. Z.; Mashuta, M. S. Inorg. Chem. 2003, 42, 4382-4388.

18. "cis-Dioxocyclam" Mashuta, M. S.; Pimenov, K. V.; Grapperhaus, C. A. Acta Cryst. Section C 2002, 58, O226-O227.

17. "Unique reactivity of a tetradentate N2S2 complex of nickel: Intermediates in the production of sulfur oxygenates." Kaasjager, V. E.; Bouwman, E.; Gorter, S.; Reedijk, J.; Grapperhaus, C. A.; Reibenspies, J. H.; Smee, J. J.; Darensbourg, M. Y.; Derecskei-Kovacs, A.; Thomson, L. M. Inorg. Chem. 2002, 41, 1837-1844.

16. "Dichloromethane alkylates a trithiolato-ruthenium complex to yield a methylene-bridged thioether core. Synthesis and structural comparison to the thiolato-ruthenium precursor" Grapperhaus, C. A.; Poturovic, S.; Mashuta, M. S. Inorg. Chem. 2002, 41, 4309-4311.

15. "First {Fe-NO}6 complex with an N2S3Fe-NO core as a model of NO-inactivated iron-containing nitrile hydratase. Are thiolates and thioethers equivalent donors in low-spin iron complexes?" Grapperhaus, C. A.; Patra, A. K.; Mashuta, M. S. Inorg. Chem. 2002, 41, 1039-1041.

IC2002

14. "1,5-Bis(benzothiazolyl)-3-thiapentane and its asymmetric dinuclear Ag(I) complex with three distinct intermolecular-stacking interactions" Grapperhaus, C. A.; Li, M.; Mashuta, M. S. Chem. Commun. 2002, 1792-1793.

13. "Subtle bite-angle influences on N2S2Ni complexes" Smee, J. J.; Miller, M. L.; Grapperhaus, C. A.; Reibenspies, J. H.; Darensbourg, M. Y. Inorg. Chem. 2001, 40, 3601-3605.

12. "Synthetic models of nitrile hydratase" Grapperhaus, C. A.; Patra, A. K.; Poturovic, S. J. Inorg. Biochem. 2001, 86, 240-240.

11. "Molecular and electronic structure of [(MnVN(cyclam-acetato)]PF6. A combined experimental and DFT study" Grapperhaus, C. A.; Bill, E.; Weyhermuller, T.; Neese, F.; Wieghardt, K. Inorg. Chem. 2001, 40, 4191-4198.

10. "Mononuclear (nitrido)iron(V) and (oxo)iron(IV) complexes via photolysis of [(cyclam-acetato)FeIII(N3)]+ and ozonolysis of [(cyclam-acetato)FeIII(O3SCF3)]+ in water/acetone mixtures" Grapperhaus, C. A.; Mienert, B.; Bill, E.; Weyhermuller, T.; Wieghardt, K. Inorg. Chem. 2000, 39, 5306-5317.

IC2000

9. "Correlation of electrochemistry, nucleophilicity and density functional calculations of the cis-dithiolate (bme*-daco)Ni" Bellefeuille, J. A.; Grapperhaus, C. A.; Derecskei-Kovacs, A.; Reibenspies, J. H.; Darensbourg, M. Y. Inorg. Chim. Acta 2000, 300, 73-81.

8. "Ozone oxidation of iron(III) in a monofunctionalized cyclam: Spectroscopic characterization of high valent iron species" Grapperhaus, C. A.; Bill, E.; Wieghardt, K. J. Inorg. Biochem. 1999, 74, 146-146.

7. "Synthesis and dimer cleavage reactions of the N2S thiolate bridged dimer [(mmp-dach)2Ni2]Cl2Grapperhaus, C. A.; Bellefeuille, J. A.; Reibenspies, J. H.; Darensbourg, M. Y. Inorg. Chem. 1999, 38, 3698-3703.

6. "Methylation of tethered thiolates in [(bme-daco)Zn]2 and [(bme-daco)Cd]2 as a model of zinc sulfur-methylation protein" Grapperhaus, C. A.; Tuntulani, T.; Reibenspies, J. H.; Darensbourg, M. Y. Inorg. Chem. 1998, 37, 4052-4058.

5. "Oxygen capture by sulfur in nickel thiolates" Grapperhaus, C. A.; Darensbourg, M. Y. Acc. Chem. Res. 1998, 31, 451-459.

ACC1998

4. "1,5-Diazacyclooctane, Pendant Arm Thiolato Derivatives and [(N,N’-bis(2-mercaptoethyl)-1,5-diazacyclooctanato]Nickel(II)" Mills, D. K.; Font, I.; Farmer, P. J.; Hsiao, Y. M.; Tuntulani, T.; Buonomo, R. M.; Goodman, D. C.; Musie, G.; Grapperhaus, C. A.; Maguire, M. J.; Lai, C. H.; Hatley, M. L.; Smee, J. J.; Bellefeuille, J. A.; Darensbourg, M. Y.  Inorg. Synth. 1998, 37, 4052-4058

3. "Alkylation-induced O-atom rearrangement in nickel S-oxygenates" Bellefeuille, J. A.; Grapperhaus, C. A.; Buonomo, R. M.; Reibenspies, J. H.; Darensbourg, M. Y. Organometallics 1998, 17, 4813-4821.

2. "Singlet oxygen and the production of sulfur oxygenates of nickel(II) and palladium(II) thiolates" Grapperhaus, C. A.; Maguire, M. J.; Tuntulani, T.; Darensbourg, M. Y. Inorg. Chem. 1997, 36, 1860-1866.

1. "Template effect for O2 addition across cis-sulfur sites in nickel dithiolates" Grapperhaus, C. A.; Darensbourg, M. Y.; Sumner, L. W.; Russell, D. H. J. Am. Chem. Soc. 1996, 118, 1791-1792.

JACS1996