Publications: 2000-2009

  • Preparation and Characterization of Homologous Diiron Dithiolato, Diselenato, and Ditellurato Complexes: [FeFe]-Hydrogenase Models, Mohammad K. Harb, Ulf-Peter Apfel, Joachim Kbel, Helmar Grls, Greg A. N. Felton, Taka Sakamoto, Dennis H. Evans, Richard S. Glass, Dennis L. Lichtenberger, Mohammad El-khateeb, Wolfgang Weigand. Organometallics, 2009, 28 (23), pp 6666–6675 . DOI: 10.1021/om900675q

  • New Insights into Solvolysis and Reorganization Energy from Gas-Phase, Electrochemical, and Theoretical Studies of Oxo-Tp*MoVMolecules, Aaron K. Vannucci, Rae Ana Snyder, Nadine E. Gruhn, Dennis L. Lichtenberger, John H. Enemark. Inorg. Chem., 2009, 48 (18), pp 8856–8862. DOI: 10.1021/ic9011058

  • Phosphane- and Phosphite-Substituted Diiron Diselenolato Complexes as Models for [FeFe]-Hydrogenases, Mohammad K. Harb, Jochen Windhager, Ahmad Daraosheh, Helmar Görls, L. Tori Lockett, Noriko Okumura, Dennis H. Evans, Richard S. Glass, Dennis L. Lichtenberger, Mohammad El-khateeb, Wolfgang Weigand.  Eur. J. Inorg.Chem., 2009, 23, pp 3414-3420. DOI: 10.1002/ejic.200900252

  • One- to Two-Electron Reduction of an [FeFe]-Hydrogenase Active Site Mimic: The Critical Role of Fluxionality of the [2Fe2S] Core, Greg A. N. Felton, Benjamin J. Petro, Richard S. Glass, Dennis L. Lichtenberger, Dennis H. Evans.  J. Am. Chem. Soc., 2009, 131 (32), pp 11290–11291. DOI: 10.1021/ja904520x

  • Review of electrochemical studies of complexes containing the Fe2S2 core characteristic of [FeFe]-hydrogenases including catalysis by these complexes of the reduction of acids to form dihydrogen, Greg A.N. Felton, Charles A. Mebi, Benjamin J. Petro, Aaron K. Vannucci, Dennis H. Evans, Richard S. Glass, Dennis L. Lichtenberger. J. organimet. Chem., 2009, 694 (17), pp 2681–2699. DOI: 10.1016/j.jorganchem.2009.03.017

  • Synthesis and Characterization of Diiron Diselenolato Complexes Including Iron Hydrogenase Models, Mohammad K. Harb, Tobias Niksch, Jochen Windhager, Helmar Grls, Rudolf Holze, L. Tori Lockett, Noriko Okumura, Dennis H. Evans, Richard S. Glass, Dennis L. Lichtenberger, Mohammad El-khateeb, Wolfgang Weigand. Organometallics, 2009, 28 (4), pp 1039–1048. DOI: 10.1021/om800748q

  • Theoretical and Spectroscopic Investigations of the Bonding and Reactivity of (RO)3MN Molecules, where M = Cr, Mo, and W, Shentan Chen, Malcolm H. Chisholm, Ernest R. Davidson, Jason B. English, Dennis L. Lichtenberger. Inorg. Chem., 2009, 48 (3), pp 828–837. DOI: 10.1021/ic801786u

  • Electron Transfer Parameters of Triisopropylsilylethynyl-Substituted Oligoacenes, Olga Lobanova Griffith, Nadine E. Gruhn, John E. Anthony, Balaji Purushothaman, Dennis L. Lichtenberger . J. Phys. Chem. C, 2008, 112 (51), pp 20518-20524. DOI: 10.1021/jp18070629

  • Photoelectron spectroscopy of dithiolatodiironhexacarbonyl models for the active site of [Fe–Fe] hydrogenases: Insight into the reorganization energy of the “rotated” structure in the enzyme, Benjamin J. Petro, Aaron K. Vannucci, L. Tori Lockett, Charles Mebi, Rudresha Kottani, Nadine E. Gruhn, Gary S. Nichol, Paul A.J. Goodye, Dennis H. Evans, Richard S. Glass, Dennis L. Lichtenberger . J. Mol. Struct, 2008, 890 (1-3), pp 281-288. DOI: 10.1016/j.molstruc.2008.04.024

  • Hydrogen Generation from Weak Acids: Electrochemical and Computational Studies in the [(η5-C5H5)Fe(CO)2]2 System, Greg A. N. Felton, Aaron K. Vannucci, Noriko Okumura, L. Tori Lockett, Dennis H. Evans, Richard S. Glass, Dennis L. Lichtenberger. Organometallics, 2008, 27 (18), pp 4671–4679. DOI: 10.1021/om800366h

  • Valence Electronic Structure of Benzo-2,1,3-chalcogenadiazoles Studied by Photoelectron Spectroscopy and Density Functional Theory, Anthony F. Cozzolino, Nadine E. Gruhn, Dennis L. Lichtenberger, Ignacio Vargas-Baca. Inorg. Chem., 2008, 47 (14), pp 6220–6226. DOI: 10.1021/ic800055c

  • Electronic structure of the d1 bent-metallocene Cp2VCl2: A photoelectron and density functional study, Matthew A. Cranswick, Nadine E. Gruhn, John H. Enemark, Dennis L. Lichtenberger. J. organimet. Chem., 2008, 693 (8-9), pp 1621–1627. DOI: 10.1016/j.jorganchem.2007.12.035

  • The Electronic Structure and Bonding of the First p-Block Paddlewheel Complex, Bi2(trifluoroacetate)4, and Comparison to d-Block Transition Metal Paddlewheel Complexes: A Photoelectron and Density Functional Theory Study, Jason C. Durivage, Nadine E. Gruhn, Bo Li, Evgeny V. Dikarev, Dennis L. Lichtenberger. J. Clust. Sci., 2008, 19 (1), pp 275–294. DOI: 10.1007/s10876-007-0179-9

  • Metal–sulfur dπ–pπ buffering of the oxidations of metal–thiolate complexes: Photoelectron spectroscopy of (η5-C5H5)Fe(CO)2SR (SR = SCH3, StBu) and (η5-C5H5)Re(NO)(PR3)SCH3 (PR3 = PiPr3, PPh3), Matthew A. Cranswick, Nadine E. Gruhn, Olivia Oorhles-Steele, Kristie R. Ruddick, Nicolai Burzlaff, Wolfdieter A. Schenk, Dennis L. Lichtenberger. Inorg. Chim. Acta., 2008, 361 (4), pp 1122–1133. DOI: 10.1016/j.ica.2007.08.021

  • Photoelectron spectroscopy, Gruhn, Nadine E.; Lichtenberger, Dennis L. Applications of Physical Methods to Inorganic and Bioinorganic Chemistry (2007), 441-459

  • Photoelectron Spectroscopy and Electronic Structure Calculations of d1 Vanadocene Compounds with Chelated Dithiolate Ligands: Implications for Pyranopterin Mo/W Enzymes, Matthew A. Cranswick, Alice Dawson, J. Jon A. Cooney, Nadine E. Gruhn, Dennis L. Lichtenberger, John H. Enemark. Inorg. Chem., 2007, 46 (25), pp 10639–10646. DOI: 10.1021/ic800055c

  • Hydrogen Generation from Weak Acids:Electrochemical and Computational Studies of a Diiron Hydrogenase Mimic, Greg A. N. Felton, Aaron K. Vannucci, Jinzhu Chen, L. Tori Lockett, Noriko Okumura, Benjamin J. Petro, Uzma I. Zakai, Dennis H. Evans, Richard S. Glass, and Dennis L. Lichtenberger. J. Am. Chem. Soc.,2007, 129 (41), pp 12521–12530. http://dx.doi.org/10.1021/ja073886g

  • Iron-Only Hydrogenase Mimics. Thermodynamic Aspects of the Use of Electrochemistry to Evaluate Catalytic Efficiency for Hydrogen Generation, Greg A. N. Felton, Richard S. Glass, Dennis L. Lichtenberger, Dennis H. Evans. Inorg. Chem., 2007, 46 (19), pp 8098. DOI: 10.1021/ic701610s

  • Silyl Substitution Effects on Metal-Pentadienyl Bonding: Synthesis, Structure, Photoelectron Spectroscopy, and Electronic Structure of a High-Valent Half-Open Zirconocene, Asha Rajapakshe, Rehan Basta, Atta M. Arif, Richard D. Ernst, Dennis L. Lichtenberger. Organometallics, 2007, 26 (11), pp 2867–2871. DOI: 10.1021/om070008i

  • Iron-Only Hydrogenase Mimics. Thermodynamic Aspects of the Use of Electrochemistry to Evaluate Catalytic Efficiency for Hydrogen Generation, Greg A. N. Felton, Richard S. Glass, Dennis L. Lichtenberger, Dennis H. Evans. Inorg. Chem., 2006, 45 (23), pp 9181–9184. DOI: 10.1021/ic060984e

  • Photoelectron Spectroscopy and DFT Calculations of Easily Ionized Quadruply Bonded Mo24+Compounds and Their Bicyclic Guanidinate Precursors, F. Albert Cotton, Jason C. Durivage, Nadine E. Gruhn, Dennis L. Lichtenberger, Carlos A. Murillo, Laura O. Van Dorn, Chad C. Wilkinson. J. Phys. Chem. B, 2006, 110 (40), 19793–19798. http://dx.doi.org/10.1021/jp061820m

  • NMR and EPR Studies of Chloroiron(III) Tetraphenyl-chlorin and Its Complexes with Imidazoles and Pyridines of Widely Differing Basicities, Sheng Cai, Tatjana Kh. Shokhireva, Dennis L. Lichtenberger, F. Ann Walker. Inorg. Chem., 2006, 45 (9), pp 3519–3531. DOI: 10.1021/ic0515352

  • Heteropentadienyl Analogues of Half-Open Ruthenocenes: Metal−Ligand Interactions and Electronic Structure Perturbations, Asha Rajapakshe, M. Angeles Paz-Sandoval, J. Alfredo Gutierrez, M. Elena Navarro-Clemente, Patricia Juárez Saavedra, Nadine E. Gruhn, Dennis L. Lichtenberger. J. Am. Chem. Soc., 2006, 128 (4), pp 1109–1118. DOI: 10.1021/om060100z

  • Competition between Metal-Amido and Metal-Imido Chemistries in the Alkaline Earth Series: An Experimental and Theoretical Study of BaNH, Alexandra Janczyk, Dennis L. Lichtenberger, Lucy M. Ziurys. Organometallics, 2006, 25 (8), pp 1914–1923. DOI: 10.1021/ja053473k

  • Facilitating Access to the Most Easily Ionized Molecule:an Improved Synthesis of the Key Intermediate, W2(hpp)4Cl2, and Related Compounds, F. Albert Cotton, James P. Donahue, Nadine E. Gruhn, Dennis L. Lichtenberger, Carlos A. Murillo, Daren J. Timmons, Laura O. Van Dorn, Dino Villagrán, Xiaoping Wang. Inorg. Chem., 2006, 45 (1), 201–213. http://dx.doi.org/10.1021/ic0515709

  • Expeditious Access to the Most Easily Ionized Closed-Shell Molecule, W2(hpp)4, F. Albert Cotton, James P. Donahue, Dennis L. Lichtenberger, Carlos A. Murillo, Dino Villagrán. J. Am. Chem. Soc., 2005, 127 (31), 10808–10809. http://dx.doi.org/10.1021/ja0535458

  • NMR and EPR Studies of the Bis(pyridine) and Bis(tert-butyl isocyanide) Complexes of Iron(III) Octaethylchlorin, Sheng Cai, Dennis L. Lichtenberger, F. Ann Walker. Inorg. Chem., 2005, 44 (6), pp 1890–1903. DOI: 10.1021/ic0490876

  • Inner-Sphere Electron-Transfer Reorganization Energies of Zinc Porphyrins, Xenia Amashukeli, Nadine E. Gruhn, Dennis L. Lichtenberger, Jay R. Winkler, Harry B. Gray. J. Am. Chem. Soc., 2004, 126 (47), pp 15566–15571. DOI: 10.1021/ja0351037

  • Pentadienyls vs Cyclopentadienyls and Reversal of Metal−Ligand Bonding Affinity with Metal Oxidation State: Synthesis, Molecular Structures, and Electronic Structures of High-Valent Zirconium Pentadienyl Complexes, Asha Rajapakshe, Nadine E. Gruhn, Dennis L. Lichtenberger, Rehan Basta, Atta M. Arif, Richard D. Ernst. J. Am. Chem. Soc., 2004, 126 (43), pp 14105–14116. DOI: 10.1021/ja040123+

  • Photoelectron spectra of potassium salts of hydrotris(pyrazol-1-yl)borates: electronic structure of the electron withdrawing scorpionates Tp(CF3)2, Tp*Cl and comparison to Tp* and Tp, Hemant K. Joshi, Michael E. Arvin, Jason C. Durivage, Nadine E. Gruhn, Michael D. Carducci, Barry L. Westcott, Dennis L. Lichtenberger, John H. Enemark. Polyhedron,  2004,  23 (2-3),  pp 429-438. DOI: 10.1016/j.poly.2003.11.027

  • Investigation of Metal-Dithiolate Fold Angle Effects: Implications for Molybdenum and Tungsten Enzymes, Hemant K. Joshi, J. Jon A. Cooney, Frank E. Inscore, Nadine E. Gruhn, Dennis L. Lichtenberger, John H. Enemark. Pnas., 2003, 100 (7), pp 3719-3724. DOI: 10.1073/pnas.063683210

  • Electron Distribution, Bonding, and J(Si−H) NMR Coupling Constant in (η5-C5H5)(CO)2MnHSiCl3:The Molecular Orbital View, Dennis L. Lichtenberger. Organometallics, 2003, 22 (8), pp 1599–1602. DOI: 10.1021/om030121i

  • Ligand-mediated metal–metal interactions and localized versus delocalized mixed-valence cation states of biferrocene and bis(μ-fulvalenediyl)diiron characterized in the gas phase by valence photoelectron spectroscopy, Dennis L. Lichtenberger, Hua-Jun Fan, Nadine E. Gruhn. J. Organomet. Chem., 2003, 666 (1-2), pp 75–85. DOI: 10.1016/S0022-328X(02)02035-1

  • Closed-Shell Molecules That Ionize More Readily than Cesium, F. Albert Cotton, Nadine E. Gruhn, Jiande Gu, Penglin Huang, Dennis L. Lichtenberger, Carlos A. Murillo, Laura O. Van Dorn, Chad C. Wilkinson. Science, 2002, 298 (5600), 1971-1975. http://www.jstor.org/stable/3833121

  • How Do the Electronic Structures of Low-Symmetry Metal−Hydride and −Alkyl Complexes Compare? Photoelectron Spectroscopy and Computational Studies of (η5-C5R5)Re(NO)(L)R‘ (L = CO, P(C6H5)3; R, R‘ = H, CH3), Dennis L. Lichtenberger, Nadine E. Gruhn, Anjana Rai-Chaudhuri, Sharon K. Renshaw, John A. Gladysz, Haijun Jiao, Jeff Seyler, Alain Igau. Organometallics, 2002, 21 (25), pp 5494–5504. DOI: 10.1021/om020793t

  • Transferability of the Valence Ionization Intensities of Chemical Functional Groups between Molecules, Julia K. Padden Metzker, Nadine E. Gruhn, Dennis L. Lichtenberger. J. Phys. Chem. A, 2002, 106 (42), pp 9999–10009. DOI: 10.1021/jp025783k

  • Electron-Transfer Reorganization Energies of Isolated Organic Molecules, Xenia Amashukeli, Jay R. Winkler, Harry B. Gray, Nadine E. Gruhn, Dennis L. Lichtenberger. J. Phys. Chem. A, 2002, 106 (33), pp 7593–7598. DOI: 10.1021/jp014148w

  • Vibrational Progressions in the Valence Ionizations of Transition Metal Hydrides:Evaluation of Metal-Hydride Bonding and Vibrations in (η5-C5R5)Re(NO)(CO)H [R = H, CH3], Dennis L. Lichtenberger, Nadine E. Gruhn, Anjana Rai-Chaudhuri, Sharon K. Renshaw, John A. Gladysz, Haijun Jiao, Jeff Seyler, Alain Igau.J. Am. Chem. Soc., 2002, 124 (7), pp 1417–1423. DOI: 10.1021/ja0120227

  • Tetrakis­[μ-N,N′-bis(4-bromo­phenyl)­formamidinato-N:N′]­dimolybdenum(II), Matthew A. Lynn, Hugh D. Selby, Michael D. Carducci, Michael A. Bruck, Carina Grittini, Dennis L. Lichtenberger. Acta. Cryst, 2001, E57 (2), m70-m71. DOI: 10.1107/S160053680100071X

  • Tetrakis­[μ-N,N′-bis(4-bromo­phenyl)­formamidinato-N:N′]­dimolybdenum(II), Matthew A. Lynn, Hugh D. Selby, Michael D. Carducci, Michael A. Bruck, Carina Grittini, Dennis L. Lichtenberger. Acta. Cryst, 2001, E57 (2), pp m570-m58. DOI: 10.1107/S160053680002113

  • Experimental Observation of Non-Aufbau Behavior:Photoelectron Spectra of Vanadyloctaethylporphyrinate and Vanadylphthalocyanine, Barry L. Westcott, Nadine E. Gruhn, Laura J. Michelsen, Dennis L. Lichtenberger. J. Am. Chem. Soc., 2000, 122 (33), pp 8083–8084. DOI: 10.1021/ja994018p

  • A comparative study of the isomers of ReOCl3(PMe3)2 and ReOCl3(PEt3)2. The isolation and characterization of ReH7(PR3)2 and ReO(OEt)Cl2(PR3)2 (R=Me or Et) and the photoelectron spectrum of ReH7(PMe3)2, Kimberly J Smitha, Andrea L Ondraceka, Nadine E Gruhnb, Dennis L Lichtenbergerb, Phillip E Fanwicka, Richard A Walton. Inorg. Chimi. Acta., 2000, (300-302), pp 23–31. DOI: 10.1016/S0020-1693(99)00419-3

  • Gas-Phase Photoelectron Spectroscopic and Theoretical Studies of 1,2-Dichalcogenins:Ionization Energies, Orbital Assignments, and an Explanation of Their Color, Richard S. Glass, Nadine E. Gruhn, Dennis L. Lichtenberger, Edward Lorance, John R. Pollard, Marc Birringer, Eric Block, Russell DeOrazio, Chunhong He, Zhixing Shan, Xing Zhang. J. Am. Chem. Soc., 2000, 122 (21), 5065–5074. DOI: 10.1021/ja9941330

  • Electronic Factors for Protonation of an Organometallic Molecule. Photoelectron Spectroscopy and Electron Paramagnetic Resonance Study of [(η6-C6H6)Mo(TRIPOD)]0/+, Victor S. Asirvatham, Nadine E. Gruhn, Dennis L. Lichtenberger, and Michael T. Ashby. Organometallics, 2000, 19 (11), pp 2215–2227. http://dx.doi.org/10.1021/om990673u

  • Comparison of the Bonding of Benzene and C60 to a Metal Cluster: Ru3(CO)9(μ3-η2,η 2,η2-C6H6) and Ru3(CO)9(μ3-η2,η2,η2-C60), Matthew A. Lynn, Dennis L. Lichtenberger. J. Clust. Sci., 2000, 11 (1), pp 169–168. DOI: 1023/A:1009021000300

  • Metal−Metal Bonding in Rh2(O2CCF3)4:Extensive Metal−Ligand Orbital Mixing Promoted by Filled Fluorine Orbitals, Dennis L. Lichtenberger, John R. Pollard, Matthew A. Lynn, F. A. Cotton, Xuejun Feng. J. Am. Chem. Soc., 2000, 122(13), 3182–3190. http://dx.doi.org/10.1021/ja993618l