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Publications

  1. The Coordinative Properties of Bifunctional Arsenic Ligands in Carbonyl Vanadium Compounds; W. R. W. Roose, D. Rehder, H. Lüders, K. H. Theopold; J. Organomet. Chem. 1978, 157, 311.

  2. Synthesis of Metallacyclopentanes Containing Two Metals in the Ring. Thermal Decomposition to Cyclopropane and Ligand-Induced Conversion to Stable Metallacyclopentanones; K. H. Theopold, R. G. Bergman; J. Am. Chem. Soc. 1980, 102, 5694.

  3. Synthesis and Reactions of a Binuclear Cobalt Bridging Methylene-(μ-CH2)Complex. Conversion to μ-CH2 Rh/Co and Rh/Rh Complexes and Methylene Transfer to Ethylene Involving Activation by a Second Metal Complex; K. H. Theopold, R. G. Bergman; J. Am. Chem. Soc. 1981, 103, 2489.

  4. Carbon-to-Carbon Migration of the Dimetallic Group in Dinuclear Cobalt Alkylidene Complexes; K. H. Theopold, R. G. Bergman; Organometallics 1982, 1, 219.

  5. Binuclear Metallacycles: Organometallic Ring Systems Containing Two Metal Centers; K. H. Theopold, W. H. Hersh, R. G. Bergman; Israel Journal of Chemistry 1982, 22, 27.

  6. Asymmetric Induction in Reactions Employing Enolates Generated From Cyclic Organotransition-Metal Acyl Complexes; P. N. Becker, K. H. Theopold, R. G. Bergman; J. Am. Chem. Soc. 1982, 104, 5250.

  7. An XPS-Study of Transition Metal μ-Methylene Complexes and Related Compounds; S. F. Xiang; H. W. Chen; C. J. Eyermann, W. L. Jolly, F. P. Smit, K. H. Theopold, R. G. Bergman, W. A. Herrmann, R. Pettit; Organometallics 1982, 1, 1200.

  8. Synthesis, Crystal and Molecular Structure, and Chemistry of (μ-Trimethylene)bis(η5-cyclopentadienyl)bis(m-carbonyl)dicobalt, a Five Membered Dicobaltacycle; K. H. Theopold, R. G. Bergman; Organometallics 1982, 1, 1571

  9. Synthesis and Reaction Chemistry of a New Class of μ-Alkylidene Dicobalt Complexes. Crystal and Molecular Structure of μ-(Methylene)bis[(η5-methylcyclopentadienyl)carbonylcobalt]; K. H. Theopold, R. G. Bergman; J. Am. Chem. Soc. 1983, 105, 464.

  10. Alkyne Complexes of Tungsten(IV); K. H. Theopold, S. J. Holmes, R. R. Schrock; Angew. Chem. Int. Ed. Engl. 1983, 22, 1010.

  11. Preparation of [Nb(η5-C5Me5)Cl2]2 and Nb(η5-C5Me5)(3-hexyne)Cl2; P. A. Belmonte, F. G. N. Cloke, K. H. Theopold, R. R. Schrock; Inorg. Chem. 1984, 23, 2365.

  12. High Oxidation State Dinitrogen Complexes. Synthesis and Crystal Structure of [W(C5CCC6H5)(CH3OCH2CH2OCH3)Cl2]2(μ-N2).0.5 CH3OCH2OCH2OCH3; M. R. Churchill, Y.-J. Li, K. H. Theopold, R. R. Schrock; Inorg. Chem. 1984, 23, 4472.

  13. Hydrazido(1-), 1,2-Hydrazido(2-), and Hydrazido(4-) Complexes of Tungsten(VI); R. R. Schrock, L. Blum, and K. H. Theopold, In Adv. Nitrogen Fixation Res., Proc. 5th Int. Symp. Nitrogen Fixation 1983, C. Veeger, W.C. Newton, Eds.; Martinus Nijhoff: The Hague, Netherlands, 1984, 75.

  14. Metallaradikale in der Organometallchemie; K. H. Theopold; Nachr. Chem. Tech. Lab. 1986, 34, 876.

  15. Tetrakis(1-norbornyl)cobalt, a Low Spin Tetrahedral Complex of a First Row Transition Metal; E. K. Byrne, D. S. Richeson, K. H. Theopold; J. Chem. Soc., Chem. Commun. 1986, 1491.

  16. Synthesis and Characterization of Polynuclear Chromium Alkyls. Crystal Structure of a Paramagnetic m3-methylidyne Complex with Short Nonbonded Cr-Cr Contacts; D. S. Richeson, S.-W. Hsu, N. H. Fredd, G. Van Duyne, K. H. Theopold; J. Am. Chem. Soc. 1986, 108, 1491.

  17. Redox Chemistry of Tetrakis(1-norbornyl)cobalt. Synthesis and Characterization of a Cobalt(V) Alkyl and Self Exchange Rate of a Co(III)/Co(IV) Couple; E. K. Byrne, K. H. Theopold; J. Am. Chem. Soc. 1987, 109, 1282.

  18. Facile Insertion of Nitriles into Paramagnetic Chromium(III) Alkyls. Crystal Structure of a μ2-Ketimino Complex; D. S. Richeson, J. F. Mitchell, K. H. Theopold; J. Am. Chem. Soc. 1987, 109, 5868.

  19. Electron Transfer Rates of a Co(-I)/Co(0) Couple and Crystal Structure of the Tetrakis(trimethylphosphite)cobaltate(-I) Ion; J. D. Protasiewicz, G. Schulte, K. H. Theopold; Inorg. Chem. 1988, 27, 1133.

  20. Synthesis and Structure Determination of [Cp*4Cr4(μ-F)5Cl2]PF6. A Tetranuclear Chromium Complex formed by Fluoride Abstraction From Hexafluorophosphate; B. J. Thomas, J. F. Mitchell, J. A. Leary, K. H. Theopold; J. Organomet. Chem. 1988, 348, 333.

  21. Cationic Chromium(III) Alkyls as Olefin Polymerization Catalysts; B. J. Thomas, K. H. Theopold; J. Am. Chem. Soc. 1988, 110, 5902.

  22. Design of a Monomeric Arsinogallane and Chemical Conversion to Gallium Arsenide; E. K. Byrne, L. Parkanyi, K. H. Theopold; Science (Washington, D. C.) 1988, 241, 332

  23. Synthesis and Reaction Chemistry of a New Class of Paramagnetic Chromium(III) Alkyls. Crystal Structure of μ-Phenyl(methyl)ketimino-μ-Chloro-bis[(η5-pentamethyl-cyclopentadienyl)chlorochromium(III)], a Complex formed by Insertion of a Nitrile into a Chromium-Carbon Bond; D. S. Richeson, J. F. Mitchell, K. H. Theopold, Organometallics 1989, 8, 2570.

  24. Synthesis, Characterization, and Electron Transfer Reactivity of Norbornyl Complexes of Cobalt in Unusually High Oxidation States; E. K. Byrne, K. H. Theopold, J. Am. Chem. Soc. 1989, 111, 3887.

  25. Organometallic Precursors for III-V Semiconductors; E. K. Byrne, T. Douglas, K. H. Theopold, Mat. Res. Soc. Symp. Proc. 1989, 131, 59.

  26. Homoleptic Mesityl Complexes of Cobalt(II). Synthesis, Crystal Structure, and Theoretical Description of Bis(μ-mesityl)bis(mesityl)dicobalt; K. H. Theopold, J. Silvestre, E. K. Byrne, D. S. Richeson, Organometallics 1989, 8, 2001.

  27. Deprotonation of Bis(dimethylphosphino)ethane Ligand of a Cationic Chromium Alkyl; S. K. Noh, R. A. Heintz, K. H. Theopold, Organometallics 1989, 8, 2071.

  28. Synthesis and Crystal Structure of a Phospholyl Anion; T. Douglas, K. H. Theopold, Angew. Chem. 1989, 101, 1394 (Angew. Chem. Int. Ed. Engl. 1989, 28, 1367).

  29. [Cp*(Me)Cr(μ-Me)]2, an Electron Deficient Chromium(III) Alkyl with Bridging Methyl Groups and a Cr-Cr Bond; S. K. Noh, S. C. Sendlinger, C. Janiak, K. H. Theopold, J. Am. Chem. Soc. 1989, 111, 9127.

  30. A Phospholyl Complex of Indium; T. Douglas, B.S. Haggerty, A. L. Rheingold, K. H. Theopold, Polyhedron 1990, 9, 329.

  31. Crystal Structure of a Side-On Superoxo Complex of Cobalt and Hydrogen Abstraction by a Reactive Terminal Oxo Ligand; J. W. Egan Jr., B. S. Haggerty, A. L. Rheingold, S. C. Sendlinger, K. H. Theopold, J. Am. Chem. Soc. 1990, 112, 2445.

  32. Trans-bis(tetrafluoroborato)tetrakis(5-t-butyl-3-methylpyrazole)cobalt(II), a Complex with Two Coordinated Tetrafluoroborate Anions; J. W. Egan, K. H. Theopold, Acta Crystallogr., Sect. C 1990, C46, 1013.

  33. A Paramagnetic μ-Methylene Complex with a Short CrIII-CrIII Bond; S. K. Noh, R. A. Heintz, C. Janiak, S. C. Sendlinger, K. H. Theopold, Angew. Chem. 1990, 102, 805.

  34. Organochromium(III) Chemistry - A Neglected Oxidation State; K. H. Theopold, Acc. Chem. Res. 1990, 23, 263.

  35. Paramagnetic Chromium Alkyls as Homogeneous Catalysts for the Polymerization of Ethylene; B. J. Thomas, S. K. Noh, G. K. Schulte, S. C. Sendlinger, and K. H. Theopold, J. Am. Chem. Soc. 1991, 113, 893.

  36. Molecular Precursors for Indium Phosphide and Synthesis of Small III-V Semiconductor Clusters in Solution; T. Douglas and K. H. Theopold, Inorg. Chem. 1991, 30, 594.

  37. Synthesis and Crystal Structure of an Arsolyl Anion and Preparation of a Novel Arsinogallane; S. C. Sendlinger, B. S. Haggerty, A. L. Rheingold, and K. H. Theopold, Chem. Ber. 1991, 124, 2453.

  38. Homogeneous Chromium Catalysts for Olefin Polymerization; K. H. Theopold, R. A. Heintz, S. K. Noh, B. J. Thomas, in Homogeneous Transition Metal Catalyzed Reactions, Advances in Chemistry Series 230, Moser, W. R.; Slocum, D. W.; Eds, American Chemical Society, Washington, DC; 1992, p. 591.

  39. Oxo-Alkyls of CrV and CrVI; S.-K. Noh, R. A. Heintz, B. S. Haggerty, A. L. Rheingold, and K. H. Theopold, J. Am. Chem. Soc. 1992, 114, 1892.

  40. [Cp*Cr( μ3-H)]4 - a Paramagnetic Chromium Hydride with a Cubane Structure, R. A. Heintz, B. S. Haggerty, H. Wan, A.L. Rheingold, and K. H. Theopold, Angew. Chem., 1992, 104, 1100; Angew. Chem. Int. Ed. Engl. 1992, 31, 1077.

  41. "Cp*Co=CoCp*" is a Hydride, J. L. Kersten, A. L. Rheingold, K. H. Theopold, C. P. Casey, R. A. Widenhoefer, and C. E. C. A. Hop, Angew. Chem. 1992, 104, 1364; Angew. Chem. Int. Ed. Engl. 1992, 31, 1341.

  42. Metal-Metal- Bonding in Paramagnetic Chromium(III) Complexes - An MO-Theoretical Case Study; C. Janiak, J. Silvestre, K. H. Theopold, Chem. Ber. 1993, 126, 631.

  43. A Direct Comparison of the Rates of Degenerate Transfer of Electrons, Protons, and Hydrogen Atoms between Metal Complexes; J. D. Protasiewicz and K. H. Theopold, J. Am. Chem. Soc. 1993, 115, 5559.

  44. Chromium: Inorganic and Coordination Chemistry; K. H. Theopold, in 'Encyclopedia of Inorganic Chemistry', R. B. King ed., Wiley: New York, 1994, p. 666.

  45. Chromium: Organometallic Chemistry; R. R. Kucharczyk, K. H. Theopold, in 'Encyclopedia of Inorganic Chemistry', R. B. King ed., Wiley: New York, 1994, p. 678.

  46. Fabrication and Characterization of Nanostructured Semiconductor Thin Films and Particles; S. I. Shah, M. M. Waite, K. M. Unruh, K. H. Theopold, A. M. A. Bennett, in Nanophase Materials, G. C. Hadjipanayis, R.W. Siegel, Eds.; Kluwer: Dordrecht, 1994, p.213.

  47. Synthesis of III-V Semiconductor Particles from Organometallic precursors; A. M. A. Bennett, T. Douglas, K. M. Unruh, S. I. Shah, K. H. Theopold, in Nanophase Materials, G. C. Hadjipanayis, R.W. Siegel, Eds.; Kluwer: Dordrecht, 1994, p.29.

  48. [Hydrotris(3-iso-propyl-5-methylpyrazolyl)borato]iodocobalt(II): Unusual Purification by "Inverse Recrystallization".; O. M. Reinaud, A. L. Rheingold, K. H. Theopold, Inorg. Chem. 1994, 33, 2306.

  49. Hydrogen Tunneling in the Activation of Dioxygen by a Tris(pyrazolyl)borate Cobalt Complex; O. M. Reinaud, K. H. Theopold, J. Am. Chem. Soc. 1994,116, 6979.

  50. Unusually Large Isotope Effects on NMR Chemical Shifts of Paramagnetic Organometallic Compounds; R. A. Heintz, T. G. Neiss, K. H. Theopold, Angew. Chem., 1994, 106, 2389; Angew. Chem. Int. Ed. Engl. 1994, 33, 2326.

  51. [(η5-C5R5)CrR]n - A New Class of Paramagnetic Alkyls and Hydrides of Divalent Chromium; R. A. Heintz, R. L. Ostrander, A. L. Rheingold, K. H. Theopold, J. Am. Chem. Soc. 1994, 116, 11387.

  52. Paramagnetic Benzyl Chromium Complexes as Homogeneous Ethylene Polymerization Catalysts; G. Bhandari, Y. Kim, J. M. McFarland, A. L. Rheingold, K. H. Theopold, Organometallics 1995, 14, 738.

  53. Correlations between Structure, Magnetism, and Polymerization Activity of Paramagn etic Benzyl Chromium Complexes; G. Bhandari, A. L. Rheingold, K. H. Theopold, Chem. Eur. J. 1995, 1, 199.

  54. Novel Structure of a Binuclear Cobalt Dioxygen Complex on the Path to Dioxygen Activation; O. M. Reinaud, G. P. A. Yap, A. L. Rheingold, K. H. Theopold, Angew. Chem. 1995, 107, 2171; Angew. Chem. Int. Ed. Engl. 1995, 34, 2051.

  55. Can Spin State Change Slow Organometallic Reactions?; J. L. Detrich, O. M. Reinaud, A. L. Rheingold, K. H. Theopold,J. Am. Chem. Soc. 1995, 117, 11745.

  56. Unusually strong intramolecular magnetic coupling in a chromium hydride cluster; R. A. Heintz, T. F. Koetzle, R. L. Ostrander, A. L. Rheingold, K. H. Theopold, P. Wu, Nature 1995, 378, 359.

  57. Structural Distortion of the TpCo-L Fragment (Tp = tris(pyrazolyl)borate). Analysis by X-ray Diffraction and Density Functional Theory; J. L. Detrich, R. Konecny, W. M. Vetter, D. Doren, A. L. Rheingold, K. H. Theopold, J. Am. Chem. Soc. 1996, 118, 1703.

  58. Organochromium Complexes in Homogeneous Olefin Polymerization; G. Bhandari, J. L. Kersten, R. R. Kucharczyk, P. A. White, Y. Liang, K. H. Theopold, in 11th International Congress on Catalysis - 40th Anniversary, Hightower, J. W.; Delgass, W.N.; Iglesia, E. and Bell, A T., Eds; Elsevier: Amsterdam, 1996, p. 153.

  59. Constrained Geometry Chromium Catalysts for Olefin Polymerization; Y. Liang, G. P. A. Yap, A. L. Rheingold, K. H. Theopold, Organometallics 1996, 15, 5284.

  60. α-Olefin Polymerization with Ether-Coordinated Chromium(III) Alkyls; P. A. White, J. Calabrese, K. H. Theopold, Organometallics 1996, 15, 5473.

  61. (Tpt-Bu,Me)CrR - a New Class of Mononuclear, Coordinatively Unsaturated Chromium(II) Alkyls with Cis-Divacant Octahedral Structure; J. L. Kersten, R. R. Kucharczyk, G. P. A. Yap, A. L. Rheingold, K. H. Theopold, Chem. Eur. J., 1997, 3, 1668.

  62. Dioxygen Activation with Sterically Hindered Tris(pyrazolyl)borate Cobalt Complexes; K. H. Theopold, O. M. Reinaud, D. Doren, R. Konecny, in 3rd World Congress on Oxidation Catalysis, Grasselli, R. K.; Oyama, S. T.; Gaffney, A. M.; Lyons, J. E., Eds; Elsevier: Amsterdam, 1997, p. 1081.

  63. Understanding chromium-based olefin polymerization catalysis; K. H. Theopold, CHEMTECH, 1997, 27(10), 26.

  64. Homogeneous Chromium Catalysts for Olefin Polymerization; K. H. Theopold, Eur. J. Inorg. Chem, 1998, 15.

  65. Catalytic Significance of the Specificity of Divalent Cations as KS* and kcat* Cofactors for Secreted Phospholipase A2; B.-Z. Yu, J. Rogers, G. R. Nicol, K. H. Theopold, K. Seshadri, S. Vishweshwara, M. K. Jain, Biochemistry 1998, 37, 12587.

  66.  [(Ph)2nacnac]MCl2(THF)2 (M = Ti, V, Cr) — A New Class of Homogeneous Olefin Polymerization Catalysts Featuring b-Diiminate Ligands, W.-K. Kim, M. J. Fevola, L. M. Liable-Sands, A. L. Rheingold, and K. H. Theopold, Organometallics 1998, 17, 4541.

  67. Structure and Reactivity of Trimethylsilylmethyl Complexes of Chromium, Including the 13-Electron Alkyl Cp*Cr(CH2SiMe3)2; R. A. Heintz, S. Leelasubcharoen, L. M. Liable-Sands, A. L. Rheingold, and K. H. Theopold*, Organometallics 1998, 17, 5477.

  68. Insertion of O2 into a Chromium Phenyl Bond — Mechanism of Formation of Paramagnetic d2 Oxo Complex [Tpt-Bu,MeCrIV(O)OPh], A. Hess, M. R. Hörz, L. M. Liable-Sands, D. C. Lindner, A. L. Rheingold, and K. H. Theopold, Angew. Chem., Int. Ed. 1999, 38, 166.

  69. Paramagnetic Alkyl, Hydride, and Alkene Complexes of the Tpt-Bu,MeCo Moiety, J. D. Jewson, Louise M. Liable-Sands, G. P. A. Yap, A. L. Rheingold, and K. H. Theopold*, Organometallics 1999, 18, 300.

  70. Insights into Homogeneous Catalysis from First-Principles Theory: Density Functional Studies of Inorganic Cobalt Complexes; D. J. Doren, R. Konecny, K. H. Theopold Catal. Today 1999, 50, 669.

  71. Paramagnetic Organometallic Compounds - the Example Chromium; C. Pariya and K. H. Theopold, Current Science 2000, 78, 1345.

  72. Unusual Transformations of a Bipyridine Ligand in Attempts to Trap a Terminal Cr(III) Alkylidene; S. Leelasubcharoen, K.-C. Lam, T. E. Concolino, A. L. Rheingold, K. H. Theopold, Organometallics 2001, 20, 182.

  73. Voltammetric Study of an Unusual Dimer/Monomer Redox System Involving a Chromium(III) Complex of a Tridentate CNN Ligand; S. Leelasubcharoen, M. W. Lehmann, K. H. Theopold, D. H. Evans, J. Electrochem Soc. 2001, 148, E118.

  74. Formation and Reactivity of a Cobalt(II) Hydroperoxide; S. Thyagarajan, C. D. Incarvito, A. L. Rheingold, and K. H. Theopold, J. Chem. Soc. Chem. Commun., 2001, 2198.

  75. Toward Benign Synthesis Via Catalytic Oxidations Using Dioxygen or Nitrous Oxide; K. H. Theopold, O. M. Reinaud, S. Blanchard, S. Leelasubcharoen, A. Hess, S. Thyagarajan, in Advancing Sustainability through Green Chemistry; Anastas, P. T.; Lankey, R. L., Eds.; ACS Symposium Series 823; American Chemical Society: Washington, DC, 2002, p. 75.

  76. The (Ph)2nacnac Ligand in Organochromium Chemistry, L. A. MacAdams, W.-K. Kim, L. M. Liable-Sands, I. A. Guzei, A. L. Rheingold, and K. H. Theopold, Organometallics, 2002, 21, 952.

  77. Spin surface crossing in chromium mediated olefin epoxidation with O2, J. S. Hess, S. Leelasubcharoen, A. L. Rheingold, D. J. Doren, K. H. Theopold, J. Am. Chem. Soc., 2002, 124, 2454.,

  78. The 2001 Benjamin Franklin Medal in Chemistry presented to K. Barry Sharpless, K. H. Theopold, J. Franklin Inst., 2002, 339, 307.

  79. Nacnac Metal Alkyls as Homogeneous Polymerization Catalysts, K. H. Theopold, L. A. Mac Adams, C. Puttnual, G. P. Buffone, and A. L. Rheingold, Polymeric Materials Science and Engineering, 2002, 86, 310.

  80. The First Structurally Characterized Chromium (III) Superoxide Complex Features Side-on Bonding, K. Qin, C. D. Incarvito, A. L. Rheingold and K. H. Theopold, Angew. Chem. Int. Ed., 2002, 41, 2333.

  81. Hydrogen Atom Abstraction by a Chromium(IV) Oxo Complex Derived from O2, K. Qin, C. D. Incarvito, A. L. Rheingold, and K. H. Theopold J. Am. Chem. Soc., 2002, 124, 14008.

  82. Organometallic π-Complexes of Chromium, Molybdenum and Tungsten, Excluding Arenes, K. H. Theopold, A. Mommertz, B. Salisbury, in Science of Synthesis, Vol. 2; T. Imamoto, ed.; Thieme: Stuttgart, 2003.

  83. In Pursuit of a Stable Peroxynitrite Complex - NOx (x = 1-3) Derivatives of Tpt-Bu,MeCo, S. Thyagarajan, C. D. Incarvito, A. L. Rheingold, and Klaus H. Theopold, Inorganica Chimica Acta, 2003, 345, 333.

  84. Variable Character of O-O and M-O Bonding in Side-on (η2) 1:1 Metal Complexes of O2, C. J. Cramer, W. B. Tolman, K. H. Theopold, A. L. Rheingold, PNAS 2003, 100, 3635.

  85. Intramolecular C-H Activation by Inferred Terminal Cobalt Imido Intermediates, S. Thyagarajan, D. T. Shay, C. D. Incarvito, A. L. Rheingold, and Klaus H. Theopold, J. Am. Chem. Soc. 2003, 125, 4440.

  86. A Stable Alkyl Hydride of a First Row Transition Metal, L. A. MacAdams, G. P. Buffone, C. D. Incarvito, A. L. Rheingold, and K. H. Theopold, Chem. Commun., 2003, 1164.

  87. Zeolite MCM-22-supported heterogeneous chromium catalyst for ethylene polymerization, S. P. Varkey, R. F. Lobo, and K. H. Theopold, Catal. Lett. 2003, 88, 227.

  88. Studies of the Oxidation of a Hydroxychromium(III)-[hydrotrispyrazolylborate] pyrazolyl Complex, C. C. Van Kirk, K. Qin, K. H. Theopold, and D. H. Evans, J. Electroanal. Chem., 2004, 565, 185.

  89. Preparation and Ligand Substitution Reactions of TpMsRu(COD)H Including Intramolecular Ligand Metalation, C. Pariya, C. D. Incarvito, A. L. Rheingold and K. H. Theopold, Polyhedron 2004, 23, 439.

  90. Selectivity in the Polymerization of Olefins with Cyclopentadienyl Chromium Catalysts - A Density Functional Study, C. J. Hoganson, D. J. Doren, and K. H. Theopold, Macromolecules 2004, 37, 566.

  91. Phosphanylalkylcyclopentadienyl Ligands: Synthesis, Molecular Structures and Catalytic Properties of [{(η5-C5H4)CMe2PHR}CrCl2(PMe2Ph)] (R = Ph, tBu), T. Höcher, B. A. Salisbury, K. H. Theopold, E. Hey-Hawkins, Polyhedron 2004, 23, 1393.

  92. A chromium catalyst for the polymerization of ethylene as a homogeneous model system for the Phillips catalyst, Leonard A. MacAdams, Gerald P. Buffone, Christopher D. Incarvito, Arnold L. Rheingold, and Klaus H. Theopold, J. Am. Chem. Soc. 2005, 127, 1082, [link].

  93. Intramolecular C-H Activation by an Open-Shell Cobalt(III) Imido Complex, Daniel T. Shay, Glenn. P. A. Yap, Lev N. Zakharov, Arnold L. Rheingold, and Klaus H. Theopold, Angew. Chem. Int. Ed. 2005, 44, 1508, [link].

  94. The 2004 Benjamin Franklin Medal in Chemistry Presented to Harry B. Gray, Klaus H. Theopold, J. Franklin Inst. 2005, 342, 583, [link].

  95. Chromium: Inorganic and Coordination Chemistry, K. H. Theopold, in 'Encyclopedia of Inorganic Chemistry', 2nd ed., R. B. King ed., Wiley: New York, 2005, [link].

  96. Chromium: Organometallic Chemistry, K. H. Theopold, and R. R. Kucharczyk, in 'Encyclopedia of Inorganic Chemistry', 2nd ed., R. B. King ed., Wiley: New York, 2005, [link].

  97. A Chelating N-heterocyclic Carbene Ligand in Organochromium Chemistry, K. A. Kreisel, G. P. A. Yap, K. H. Theopold, Organometallics 2006, 25, 4670, [link].

  98. Tetra(μ-chloro)-dimethyl-tetrakis(tetrahydrofuran)-chromium(II)dizinc(II), K. A. Kreisel, G. P. A. Yap, K. H. Theopold, Acta Cryst. C 2006, C62, m569, [link].

  99. Dioxygen Activation by Organometallics of Early Transition Metals, K. H. Theopold, in Organometallic Oxidation Catalysis, F. Meyer, C. Limberg (Eds.) Topics in Organometallic Chemistry Vol 22, Springer, Berlin, 2007, p.17, [link].

  100. A Bimetallic N-heterocyclic Carbene Complex Featuring a Short Cr-Cr Distance, K. A. Kreisel, G. P. A. Yap, K. H. Theopold, Chem. Commun. 2007, 1510, [link].

  101. Synthesis and Reactivity of Pyrrolatodiimine Complexes of Chromium, B. A. Salisbury, J. F. Young, G. P. A. Yap and K. H. Theopold, - invited contribution to a special issue dedicated to Dr. Karel Mach, Collect. Czech. Chem. Commun. 2007, 72, 637, [link].

  102. Binding and Activation of Small Molecules by Three-coordinate Cr(I), W. H. Monillas, G. P. A. Yap, L. A. MacAdams, K. H. Theopold, J. Am. Chem. Soc. 2007, 129, 8090, [link].

  103. A Tale of Two Isomers - a Stable Phenyl Hydride and a High Spin (S=3) Benzene Complex of Chromium, W. H. Monillas, G. P. A. Yap, and K. H. Theopold, Angew. Chem. Int. Ed. 2007, 46, 6692, [link]. See also the Highlight in Angew. Chem.

  104. The Shortest Metal-Metal Bond Yet: Molecular and Electronic Structure of a Chromium Diazadiene Complex, K. A. Kreisel, G. P. A. Yap, Olga Dmitrenko, C. R. Landis, and K. H. Theopold, J. Am. Chem. Soc. 2007, 129, 14162, [link]. See also the C&E News item and the UD news release.

  105. Synthesis, Characterization and Electronic Structure of Diimine Complexes of Chromium, K. A. Kreisel, G. P. A. Yap, and K. H. Theopold, Inorg. Chem. 2008, 47, 5293. [link]

  106. A Tale of Two Isomers (Continued): the Phenyl Hydride Complex of Chromium More Stable than its Benzene-Bridged Isomer?, M. Benard, M.-M. Rohmer, X. Lopez, and K. H. Theopold, Angew. Chem. Int. Ed. 2008, 47, 5597. [link]

  107. Synthesis and Structural Comparison for a Series of Cr(II) (iodo) NacNac Complexes, W. H. Monillas, G. P. A. Yap, and K. H. Theopold, J. Chem. Crystallogr. 2009, 39, 73. [link]

  108. Synthesis and structural characterization of bis(μ2-Iodo)-bis(diethylether)-(N-N'-(bis(2,6-diisopropylphenyl)pentane-2,4-diketiminato)-lithium-chromium, a Cr(II) (β-diketiminato) complex with a coordinated LiI salt, W. H. Monillas, G. P. A. Yap, and K. H. Theopold, J. Chem. Crystallogr. 2009, 39, 377. [link] Erratum, J. Chem. Crystallogr. 2009, 39, 544. [link]

  109. Synthesis and structural characterization of bis[(cyclohexylamino)pent-2-en-4-onato]-chromium(II), W. H. Monillas, G. P. A. Yap, and K. H. Theopold, J. Chem. Crystallogr. 2009, 39, 380. [link]

  110. Phenylamido and Diphenylamido complexes of Chromium(II), W. H. Monillas, G. P. A. Yap, and K. H. Theopold, J. Chem. Crystallogr. 2009, 39, 535. [link]

  111. Metal Complexes of the Perfluoroalkyl Substituted Tpn-C3F7, Me Ligand, W. A. King, G. P. A. Yap, C. D. Incarvito, A. L. Rheingold, and K. H. Theopold, Inorg. Chim. Acta 2009, 362, 4493. [link]

  112. Synthesis and Structure of (TMEDA)Cr(I)(2)(THF) and [(N,N-DMEDA)(2)CrI] I, W. H. Monillas, G. P. A. Yap, and K. H. Theopold, J. Chem. Crystallogr. 2009, 39, 842. [link]

  113. 2,4-Pentane N,N'-Bis(2,6-Diisopropylphenyl) ketiminato cobalt (II) (trimethylsilyl)methylene, J. F, Young, G. P. A. Yap, and K. H. Theopold, J. Chem. Crystallogr. 2009, 39, 846. [link] Erratum: J. Chem. Crystallogr. 2010, 409, 85. [link]

  114. Synthesis and Structure of Chromium(II) Complexes Supported by Both a β-Diketiminate and an Amidinate Ligand, W. H. Monillas, G P. A Yap, and K. H. Theopold J. Chem. Crystallogr. 2009, 39, 849. [link]

  115. Synthesis and Structure of bis(β-Diketiminate) Chromium(II) Complexes, W. H. Monillas, T. C. Bazzzoli, G. P A Yap, and K. H. Theopold, J. Chem. Crystallogr. 2010, 40, 67. [link]

  116. C-H Bond Activations by Metal Oxo Complexes, A. Gunay and K. H. Theopold, Chem. Rev. 2010, 110, 1060. [link]

  117. β-Diketiminate supported Vanadium and Chromium Chloride Complexes, C. Puttnual, L. A. MacAdams, and K. H. Theopold, Inorg. Synth. 2010, 35, 30.

  118. The synthesis, characterization, and alkylation of nacnac chromium triflate derivatives, J. F. Young, L. A. MacAdams, G. P. A. Yap and K. H. Theopold, Inorg. Chim. Acta 2010. 17, 1310. [link]

  119. A Family of Four-Coordinate Iron(II) Complexes bearing the Sterically Hindered Tris(pyrazolyl)borato Ligand [TptBu,Me], F. A. Jové, C. Pariya, M. Scoblete, G. P. A. Yap and K. H. Theopold, Chem. Eur. J. 2011, 17, 1310. [link]

  120. Synthesis and structure of a chromium(III) complex supported by a β-diketiminate and an enediolate ligand, W. H. Monillas, G. P.A. Yap, K. H. Theopold , J. Chem. Crystallogr. 2011, 41, 415. [link]

  121. Reactivity of a low-valent chromium dinitrogen complex, W. H. Monillas, G. P. A. Yap and K. H. Theopold, Inorg. Chim. Acta, 2011, 369, 103. [link]

  122. Reactions of a Quintuply Bonded Chromium Dimer with Alkynes, J. Shen, G. P. A. Yap, J.-P. Werner and K. H. Theopold, Chem. Commun. 2011, 47, 12191. [link]

  123. Organochromium Complexes bearing Non-innocent Diimine Ligands, K. A. Kreisel, G. P. A. Yap and K. H. Theopold, Eur. J. Inorg. Chem. 2012, 520. [link]

  124. New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study, M. Wang, J. England, T. Weyhermüller, S.-L. Kokatam, C. J. Pollock, S. DeBeer, J. Shen, G. P. A. Yap, K. H. Theopold, and K. Wieghardt, Inorg. Chem. 2013, 52, 4472. [link]

  125. A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene, W. H. Monillas, J. F. Young, G. P. A. Yap and K. H. Theopold, Dalton Trans. 2013, 42, 9198. [link] Designated a 'Dalton Transactions Hot Article'

  126. Improved syntheses, structural and electronic characterization of carboxamide substituted TpCONHPh,Me and TpCONHt-Bu,Me Ligand, E. R. Sirianni, G. P. A. Yap, E. S. Akturk, and K. H. Theopold, Acta Cryst. C 2013, C69, 947. [link]

  127. The Direct Oxidative Addition of O2 to a Mononuclear Cr(I) Complex Is Spin Forbidden, F. Dai, G. P. A. Yap, and K. H. Theopold, J. Am. Chem. Soc. 2013, 135, 16774. [link]

  128. Binding and Activation of Small Molecules by a Quintuply Bonded Chromium Dimer, J. Shen, G. P. A. Yap, and K. H. Theopold, Chem. Commun 2014, 50, 2579. [link]

  129. Chromium Mediated Reductive Coupling of Isonitrile Forms Unusual Heterocycles, J. Shen, G. P. A. Yap, and K. H. Theopold, J. Am. Chem. Soc. 2014, 136, 3382. [link]

  130. Deprotonation of coordinated ethylene may start Phillips catalysis, K. H. Theopold , Proc. Natl. Acad. Sci. USA 2014, 111, 11578. [link]

  131. An Electron Transfer Series of Octahedral Chromium Complexes containing Redox Non-Innocent α-Diimine Ligand, J. Shen, G. P. A. Yap, W. E. Barker IV, W. E. Geiger and K. H. Theopold, Chem. Commun. 2014, 50, 10626. [link]

  132. Ferrocenyl-Substituted Tris(pyrazolyl)borates - A New Ligand Type Combining Redox Activity with Resistance to Hydrogen Atom Abstraction, E. R. Sirianni, G. P. A. Yap and K. H. Theopold, Inorg. Chem. 2014, 53, 9424. [link]

  133. Mechanism-based design of labile precursors for chromium(I) chemistry, E. S. Akturk, G. P. A. Yap and K. H. Theopold, Chem. Commun. 2015, 51, 15402. [link]

  134. O2 Activation by Non-adiabatic Oxidative Addition to a Single Metal Center, E. S. Akturk, G. P. A. Yap and K. H. Theopold, Angew. Chem. Int. Ed., 2015, 54, 14974. [link]

  135. Cr-Cr Quintuple Bonds: Ligand Topology and Interplay Between Metal-Metal and Metal-Ligand Bonding, A. Falceto, K. H. Theopold and S. Alvarez, Inorg. Chem., 2015, 54, 10966. [link]

  136. Scorpionates of the ‘Tetrahedral Enforcer’ Variety as Ancillary Ligands for Dinitrogen Complexes of First Row Transition Metals (Cr-Co), D. C. Cummins, G. P. A. Yap and K. H. Theopold, Eur. J. Inorg. Chem., 2016, 2349. [link]

  137. FcTp(R) (R = iPr or tBu): third-generation ferrocenyl scorpionates, E. R. Sirianni, D. C. Cummins, G. P. A. Yap and Klaus H. Theopold, Acta Cryst. C, 2016, C72, 813. [link]

  138. Bio-derived muconates via cross-metathesis and their conversion to terephthalates, E. Saraci, L. Wang, K. H. Theopold and Raul F. Lobo, ChemSusChem, 2018, 11, 773. [link]

  139. Structure and Reactivity of Chromium(VI) Alkylidenes, P. Wu, G. P. A. Yap, and K. H. Theopold, J. Am. Chem. Soc. 2018, 140, 7088. [link]

  140. Unexpected reactions of chromium hydrides with a diazoalkane, Y.-T. Hung, G. P. A. Yap, and K. H. Theopold, Polyhedron 2019, 157, 381. [link]

  141. Synthesis, Characterization, and Reactivity of Chromium(VI) Alkylidenes, P. Wu, G. P. A. Yap, and K. H. Theopold, Organometallics 2019, 38, 4593. [link]

  142. A molecular substitutional disorder case study suitable for instruction: L2CrII(THF)/ L,2[(trimethylsilyl)methyl]CrIII (L is 2,5-bis{[(2,6-disopropylphenyl)imino]methyl}pyrrol-1-ide), B. A. Salisbury, J. F. Young, K. H. Theopold, and G. P. A. Yap, Acta Cryst. C 2022, 78, 295. [link]

  143. The Intrinsic Barrier for N≡N Bond Cleavage or Formation Mediated by the Cp*Cr(dmpe) Fragment Is Insurmountable, Farzaneh. A. Darani, Glenn. P. A. Yap, and Klaus H. Theopold, Organometallics 2023, 43, 1324. [link]

  144. Synthesis, Characterization, and Reactivity of Tris(imido)chromium(VI) Complexes, P. Wu, G. P. A. Yap, and K. H. Theopold, Inor. Chem. 2023, 62, 19332. [link]

Patents
  1. Novel Gallium Arsenide Precursor and Low Temperature Method of Preparing Gallium Arsenide Therefrom; K. H. Theopold and E. K. Byrne, U.S. Patent No. 4,879,397, 1980.

  2. Catalyst Compounds with β-Diiminate Anionic Ligands and Processes for Polymerizing Olefins; W.-K. Kim, L. A. MacAdams, J. M. Power, J. M. Mora, and A. P. Masino, U.S. Patent No. 6,511,936, 2003.

  3. Catalyst Compounds with β-Diiminate Anionic Ligands and Process for Polymerizing Olefins; K. H. Theopold, W.-K. Kim, L. A. MacAdams, J. M. Power, J. M. Mora, and A. P. Masino, U.S. Patent No. 6,821,921, 2004

 
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