Cooksy photo

Andrew L. Cooksy

Associate Director, Computational Sciences Research Center
office: CSL 310
phone: 619-594-5571

Cooksy Faculty page


  1. "RRKM and Master Equation Kinetic Analysis of Parallel Addition Reactions of Isomeric Radical Intermediates in Hydrocarbon Flames,"
    Pierre M. Winter, Michael Rheaume, and Andrew L. Cooksy,
    J. Chem. Phys. 147, 054306 (2017). (doi: 10.1063/1.4996557.)
  2. "Chiral Two Bladed ML2 Metallamacrocycles: Design, Structures and Solution Behavior,"
    Hannah Soudry, Christophe Desmarets, Geoffrey Gontard, Tiffany Edgington, Andrew L. Cooksy, and Hani Amouri,
    Dalton Trans. (in press) (2017). (doi: 10.1039/C7DT01151B.)
  3. "An Unexpected, Latent Radical Reaction of Methane Propagated by Trifluoromethyl Radicals,"
    Nima Zargari, Pierre Winter, Yong Liang, Joo Ho Lee, Andrew Cooksy, Kendall N. Houk, and Kyung Woon Jung,
    J. Org. Chem. 81, 9820-9825 (2016). (doi:10.1021/acs.joc.6b01903.)
  4. "Examination of Oxygen Atom Transfer Reactivity of Heteroscorpionate Dioxo-Mo(VI) Complexes: Geometric Isomers, Solvent Effect, Intermediates, and Catalytic Oxidation,"
    Ba L. Tran, Amy Arita, Andrew L. Cooksy and Carl J. Carrano,
    Inorg. Chim. Acta 447, 45-51 (2016). (doi:10.1016/j.ica.2016.03.035.)
  5. "Highly Phosphorescent Crystals of Square Planar Pt (R-terpy) Complexes with Chiral Organometallic Linkers : Homochiral versus Heterochiral Arrangements, Induced Circular Dichroism and TD-DFT Calculations,"
    Hugo Sesolis, Julien Dubarle-Offner, Carmen K. M. Chan, Emmanuel Puig, Geoffrey Gontard, Pierre Winter, Andrew L. Cooksy, Vivian W.W. Yam, and Hani Amouri,
    Chem. Eur. J. 22, 8032-8037 (2016). (doi:10.1002/chem.201601161.)
  6. "Vibrationally Excited C3H and C4H,"
    Andrew L. Cooksy, C. A. Gottlieb, T. C. Killian, P. Thaddeus, Oscar Martinez, Jr., Kyle N. Crabtree, and M. C. McCarthy,
    Astrophys. J. Supp. Ser. 216 (2015). (doi: 10.1088/0067-0049/216/2/30.)
  7. "Oxygen-Chlorine Interactions in the Transition State of Asymmetric Michael Additions of Carbonyl Compounds to β-Nitrostyrene,"
    Jos A. Romero, Anglica Navarrate, Felipe A. Servn, Domingo Madrigal, Andrew L. Cooksy, Gerardo Aguirre, Daniel Chvez, and Ratnasamy Somanathan,
    Tet. Asym. 25, 997-1001 (2014). (doi: 10.1016/j.tetasy.2014.05.002.)
  8. "Encapsulation of a Metal Complex within a Self-Assembled Nanocage: Synergy Effects, Molecular Structures and DFT Calculations,"
    Christophe Desmarets, Geoffrey Gontard, Andrew Cooksy, Marie-Noelle Rager, and Hani Haniel Amouri,
    Inorg. Chem. 53, 4287-4294 (2014). (doi: 10.1021/ic402539x.)
  9. "How Do Proximal Hydroxy or Methoxy Groups on the Bidentate Ligand Affect [(2,2;6,2"-Terpyridine)Ru-(N,N)X] Water-Oxidation Catalysts? Synthesis, Characterization, and Reactivity at Acidic and Near-Neutral pH,"
    David C. Marelius, Salome Bhagan, David J. Charboneau, Kristine M. Schroeder, Jayneil M. Kamdar, Amanda R. McGettigan, Benjamin J. Freeman, Curtis E. Moore, Arnold L. Rheingold, Andrew L. Cooksy, Diane K. Smith, Jared J. Paul, Elizabeth T. Papish, and Douglas B. Grotjahn,
    Eur. J. Inorg. Chem. 2014, 676-689 (2014). (doi:10.1002/ejic.201300826.)
  10. "Electrochemical Evidence for Intermolecular Proton-Coupled Electron Transfer through a H-bond Complex in a p-Phenylenediamine-based Urea. Introduction of the "Wedge Scheme'' as a Useful Means to Describe Reactions of this Type,"
    Laurie Clare, An Pham, Francine Magdaleno, Jacqueline Acosta, Jessica Woods, Andrew Cooksy, and Diane Smith,
    J. Am. Chem. Soc. 135, 18930-18941 (2013). (doi: 10.1021/ja410061x.)
  11. "Computational Study of the Extensive Role of Heterocyclic Ligands in Acetylene Hydration by a Bifunctional Organometallic Catalyst,"
    Amy J. Arita, Janet Cantada, Douglas B. Grotjahn, and Andrew L. Cooksy,
    Organometallics 32, 6867-6870 (2013). (doi: 10.1021/om400445n.)
  12. "Π-Bonded Dithiolene Complexes: Synthesis, Molecular Structures, Electrochemical Behavior, and Density Functional Theory Calculations,"
    Aurelie Damas, Lise-Marie Chamoreau, Andrew L. Cooksy, Anny Jutand, and Hani Amouri,
    Inorg. Chem. 52, 1409-1417 (2013). (doi: 10.1021/ic302128q.)
  13. "Density Functional Calculations on Rhodium(III)-Cp* Catalyzed Asymmetric Transfer Hydrogenation of Acetophenone Using Monosulfonamide Ligands Derived from (1R,2R)-Diaminocyclohexane,"
    Domingo Madrigal, Ratnasamy Somanathan, and Andrew L. Cooksy,
    Comp. Theor. Chem. 999, 105-108 (2012). (doi:j.comptc.2012.08.021.)
  14. "Enantiomerically Pure Planar Chiral Cp*Ru Complexes: Synthesis, Molecular Structures, DFT and Coordination Properties,"
    Julien Dubarle-Offner, M. Rosa Axet, Lise Marie Chamoreau, Hani Amouri, and Andrew L. Cooksy,
    Organometallics 31, 4429-4434 (2012). (doi:10.1021/om300210c.)
  15. "Novel, Unifying Mechanism for Amphotericin B and Other Polyene Drugs: Electron Affinity, Radicals, Electron Transfer, Autoxidation, Toxicity, and Antifungal Action,"
    P. I. Kovacic and A. L. Cooksy,
    Med. Chem. Commun. 3, 274-280 (2012). (doi: 10.1039/c2md00267a.)
  16. "A Labile and Catalytically Active Imidazol-2-yl Fragment System,"
    Valentin Miranda-Soto, Douglas B. Grotjahn, Andrew L. Cooksy, James A. Golen, Curtis E. Moore, and Arnold L. Rheingold,
    Angewandte Chemie 50, 631-635 (2011). (doi:10.1002/anie.201005100.)
  17. "N-N Torsion Angles in BINAM-Mono Sulfonamide ligands and its Effect on the Catalytic Asymmetric Transfer Hydrogenation (ATH) of Ketones to Chiral Alcohols,"
    A. Barron-Jaime, G. Aguirre, M. Parra-Hake, D. Chavez, D. Madrigal, R. Somanathan, B. Sanders, and A. L. Cooksy,
    J. Mex. Chem. Soc. 55, 15-19 (Lars Hellberg memorial issue) (2011). (JMCS 55 15 2011.)
  18. "Computational Modeling of the Dehydrogenation of Methylamine,"
    Kirsten Ivey, Belynda Sanders, Chris Estela, and Andrew L. Cooksy,
    J. Mex. Chem. Soc. 55, 10-14 (Lars Hellberg memorial issue) (2011). (JMCS 55 10 2011.)
  19. "Practical Synthesis of Optically Active Alcohols via Asymmetric Transfer Hydrogenation of Aromatic Ketones Using Chiral Rh(III)-Monosulfonamide Ligand Complex in Aqueous Media,"
    Norma A. Cortez, Gerardo Aguirre, Miguel Parra-Hake, Ratnasamy Somanathan, Amy J. Arita, Andrew L. Cooksy, Cecilia Anaya de Parrodi, and Gabriela Huelgas,
    Synth. Commun. 41, 73--84 (2011). (doi: 10.1080/00397910903531821.)
  20. "Symmetry breaking in linear ZnCl2+: A theoretical study,"
    Wenli Zou, Dong Xu, Peter Zajac, Andrew L. Cooksy, Isaac B. Bersuker, Yang Liu, and James E. Boggs,
    J. Molec. Struct. 978, 263-268 (2010). (doi: 10.1016/j.molstruc.2010.03.082.)
  21. "Multimodal Study of Secondary Interactions in Cp*Ir Complexes of Imidazolylphosphines Bearing an NH Group,"
    Douglas B. Grotjahn, John E. Kraus, Hani Amouri, Marie-Noelle Rager, Andrew L. Cooksy, Amy J. Arita, Sara A. Cortes-Llamas, Arthur A. Mallari, Antonio G. DiPasquale, Curtis E. Moore, Louise M. Liable-Sands, James D. Golen, Lev N. Zakharov, and Arnold L. Rheingold,
    J. Am. Chem. Soc. 132, 7919-7934 (2010). (doi: 10.1021/ja906712g.)
  22. "The Effect of H-Bonding and Proton Transfer on the Voltammetry of 2,3,5,6-Tetramethyl-p-phenylenediamine in Acetonitrile. An Unexpectedly Complex Mechanism for a Simple Redox Couple,"
    Laurie A. Clare, Lydia E. Rojas-Sligh, Sonia M. Maciejewski, Karina Kangas, Jessica E. Woods, L. Jay Deiner, Andrew Cooksy, and Diane K. Smith,
    J. Phys. Chem. C 114, 8938-8949 (2010). (doi: 10.1021/jp100079q.)
  23. "Electron Transfer as a Potential Cause of Diacetyl Toxicity in Popcorn Lung Disease,"
    Peter Kovacic and Andrew L. Cooksy,
    Rev. Environ. Contam. Toxicol. 204, 133-148 (2010). (doi: 10.1007/978-1-4419-1440-8.)
  24. "Solving the Vibrational Schrodinger Equation on an Arbitrary Multidimensional Potential Energy Surface by the Finite Element Method,"
    Dong Xu, Jernej Stare, and Andrew L. Cooksy,
    Comp. Phys. Commun. 180, 2079-2094 (2009). (doi:10.1016/j.cpc.2009.06.010.)
  25. "Finding the Proton in a Key Intermediate of anti-Markovnikov Alkyne Hydration by a Bifunctional Catalyst,"
    Douglas B. Grotjahn, Elijah J. Kragulj, Constantinos D. Zeinalipour-Yazdi, Valentin Miranda-Soto, Daniel A. Lev, and Andrew L. Cooksy,
    J. Am. Chem. Soc. 130, 10860-10861 (Communication) (2008). (doi: 10.1021/ja803106z.)
  26. "CO Adsorption on Transition Metal Clusters: Trends from Density Functional Theory,"
    Constantinos D. Zeinalipour-Yazdi, Andrew L. Cooksy, and Angelos M. Efstathiou,
    Surf. Sci. 602, 1858-1862 (2008). (doi:10.1016/j.susc.2008.03.024.)
  27. "Hydrogen Bond Acceptance of Bifunctional Ligands in an Alkyne-Metal π Complex,"
    Douglas B. Grotjahn, Valentin Miranda-Soto, Elijah J. Kragulj, Daniel A. Lev, Gulin Erdogan, Xi Zeng, and Andrew L. Cooksy,
    J. Am. Chem. Soc. 130, 20-21 (Communication) (2008). (doi: 10.1021/ja0774616.)
  28. "Study of CO Adsorption on Rh/γ-Al2O3: a DRIFTS and DFT Study,"
    Constantinos D. Zeinalipour-Yazdi, Andrew L. Cooksy, Angelos M. Efstathiou,
    J. Phys. Chem. C 111, 13872-13878 (2007). (doi: 10.1021/jp074549x.)
  29. "Wittig Reactions in Water Media Employing Stabilized Ylides with Aldehydes. Synthesis of α,β-Unsaturated Esters from Mixing Aldehydes, α-Bromoesters, and Ph3P in Aqueous NaHCO3,"
    Amer El-Batta, Changchun Jiang, Wen Zhao, Robert Anness, Andrew L. Cooksy and Mikael Bergdahl,
    J. Org. Chem. 72, 5244-5259 (2007). (doi: 10.1021/jo070665k.)
  30. "Experimental and Computational Study of the Transformation of Terminal Alkynes to Vinylidene Ligands on trans-(Chloro)bis(phosphine)Rh Fragments and Effects of Phosphine Substituents,"
    Douglas B. Grotjahn, Xi Zeng, Andrew L. Cooksy, W. Scott Kassel, Antonio G. DiPasquale, Lev. N. Zakharov, and Arnold L. Rheingold,
    Organomet. 26, 3385-3402 (2007). (doi: 10.1021/om700355r.)
  31. "Ab Initio Study of the Torsional Motion in Tolane,"
    Dong Xu and Andrew L. Cooksy,
    J. Molec. Struct. (THEOCHEM) 815, 119-125 (2007). (doi: 10.1016/j.theochem.2007.03.028.)
  32. "Laser Magnetic Resonance Spectroscopy. Fundamental Physics to Medical Analysis of Free Radicals,"
    Andrew L. Cooksy,
    G.I.T. Laboratory Journal 3-4, 54-55 (2007).
  33. "Infrared Laser Magnetic Resonance Spectroscopy of the ν3 Fundamental and Associated Hot Bands of the NCO Free Radical,"
    D. A. Gillett, A. L. Cooksy, and J. M. Brown,
    J. Mol. Spectrosc. 239, 190-200 (2006). (doi:10.1016/j.jms.2006.07.00.)
  34. "Computational Study of Aqueous Reactions in Tocopherol Regeneration,"
    R. Lui and A. L. Cooksy,
    J. Comp. Theor. Chem. 2, 1395-1402 (2006). (doi: 10.1021/ct600161w.)
  35. "Alkyne-to-Vinylidene Transformation on trans-(Cl)Rh(phosphine)2: Acceleration by a Heterocyclic Ligand and Absence of Bimolecular Mechanism,"
    Douglas B. Grotjahn, Xi Zeng, and Andrew L. Cooksy,
    J. Am. Chem. Soc. 128, 2798-2799 (2006). (doi: 10.1021/ja058736p.)
  36. "Rotational spectra of the carbon-chain radicals HC5O, HC6O, and HC7O,"
    S. Mohamed and M. C. McCarthy, A. L. Cooksy, C. Hinton, and P. Thaddeus,
    J. Chem. Phys. 123, 234301 (2005). (doi:10.1063/1.2126970.)
  37. "Ab initio Study of the Cyclooctatetraenyl Radical,"
    Maria G. Moreno-Armenta and Andrew L. Cooksy,
    J. Phys. Chem. A 109, 3391-3395 (2005). (doi: 10.1021/jp046460m.)
  38. "Role of Diacetyl Metabolite in Alcohol Toxicity and Addiction via Electron Transfer and Oxidative Stress,"
    P. Kovacic and A. L. Cooksy,
    Arch. Toxicol. 79, 123-128 (2005). (doi: 10.1007/s00204-004-0602-z.)
  39. "Unifying Mechanism for Toxicity and Addiction by Abused Drugs: Electron Transfer and Reactive Oxygen Species,"
    P. Kovacic and A. L. Cooksy,
    Med. Hypoth. 64, 357-366 (2005). (doi:10.1016/j.mehy.2004.07.021.)
  40. "Iminium Metabolite Mechanism for Nicotine Toxicity and Addiction: Oxidative Stress and Electron Transfer,"
    P. Kovacic and A. L. Cooksy,
    Med. Hypoth. 64, 104-111 (2005). (doi:10.1016/j.mehy.2004.03.048.)
  41. "Synthesis and Precise Structure of a Monomeric, Solvent-Free Alkylcopper, Methylcopper (CH3Cu),"
    Douglas B. Grotjahn, DeWayne T. Halfen, Lucy M. Ziurys, and A. L. Cooksy,
    J. Am. Chem. Soc. 126, 12621-12627 (2004). (doi: 10.1021/ja0490166.)
  42. "Conformational Structures and Dynamics of cis-N-Alkenyl Amides,"
    Lucina Guadalupe Sanchez Martir, Gerardo Aguirre Hernandez, A. L. Cooksy, Lars Helberg, Ratnasamy Somanathan, and Felipe Ramirez Romero,
    J. Molec. Struct. 691, 235-240 (2004). (doi:10.1016/j.molstruc.2003.12.03.)
  43. "Molecular Orbital Calculations of Ring Opening of the Isoelectronic Cyclopropylcarbinyl Radical, Cyclopropoxy Radical, and Cyclopropylaminium Radical Cation Series of Radical Clocks,"
    Andrew L. Cooksy, Harry F. King, and William H. Richardson,
    J. Org. Chem. 68, 9441-9452 (2003). (doi: 10.1021/jo035085b.)
  44. "Rotational Spectra of the Nitrogen-Sulfur Carbon Chains NCnS, n=1-7,"
    M. C. McCarthy, A. L. Cooksy, S. Mohamed, V. D. Gordon, and P. Thaddeus,
    Astrophys. J. Supp. S. 144, 287-297 (2003). (doi: 10.1086/344727.)
  45. "Ab initio study of the 1,4-pentadienyl electrocyclic reactions,"
    C. Martinez and A.L. Cooksy,
    J. Org. Chem. 67, 2295-2302 (2002). (doi: 10.1021/jo0163501.)
  46. "Relocalization in floppy free radicals: the OCNO and OCCHO isoelectronic series,"
    A.L. Cooksy,
    J. Am. Chem. Soc. 123, 4003 (2001). (doi: 10.1021/ja0037522.)
  47. "Ab initio study of the C4H5 isomers,"
    C. L. Parker and A. L. Cooksy,
    J. Phys. Chem. A 103, 2160-2169 (1999). (doi: 10.1021/jp984535e.)
  48. "Relocalization in floppy hydrocarbon radicals,"
    A. L. Cooksy,
    Recent Research Developments in Physical Chemistry , 271-281 (book chapter) (1998).
  49. "Ab Initio Study of the 1,3-butadienyl Radical Isomers,"
    C. L. Parker and A. L. Cooksy,
    J. Phys. Chem. 102, 6186-6190 (1998). (doi: 10.1021/jp980970x.)
  50. "Relocalization in Floppy Free Radicals: Ab Initio Calculations of the C3H3O Isomers,"
    A. L. Cooksy,
    J. Phys. Chem. 102, 5093-5099 (1998). (doi: 10.1021/jp980566y.)
  51. "Calculations on Ground and Excited State Potential Energy Surfaces of Floppy Free Radicals: HC4H2, HC3NH, and HC3O,"
    H. Wang and A. L. Cooksy,
    Chem. Phys. 213, 139-151 (1996).
  52. "Laboratory Measurement of the Hyperfine Structure of HCCCO,"
    W. Chen, S. E. Novick, M. C. McCarthy, M. J. Travers, C. A. Gottlieb, A. L. Cooksy, and P. Thaddeus,
    Astrophys. J. 462, L561-L562 (1996).
  53. "Evidence for Non-Rigid HCCN,"
    M. C. McCarthy, J. Vrtilek, C. A. Gottlieb, A. L. Cooksy, and P. Thaddeus,
    J. Chem. Phys. 103, 7779-7787 (1996). (doi:10.1063/1.470193.)
  54. "Structures, Electronic Properties, and Isomerization of the HCCCO Radical,"
    A. L. Cooksy and F.-M. Tao and W. Klemperer and P. Thaddeus,
    J. Phys. Chem. 99, 11095-11100 (1995). (doi:10.1021/j100028a009.)
  55. "Conjugated π-Electron Systems in Reactive Molecules: Multiple Minima on 2A' Potential Surfaces of Carbon Chain Free Radicals,"
    A. L. Cooksy,
    J. Am. Chem. Soc. 117, 1098-1104 (1995). (doi:10.1021/ja00108a028.)
  56. "The Structure of the HCCCO Radical: Rotational Spectra and Hyperfine Structure of Monosubstituted Isotopomers,"
    A. L. Cooksy, J. K. G. Watson, C. A. Gottlieb, and P. Thaddeus,
    J. Chem. Phys. 101, 178-186 (1994). (doi:10.1063/1.468493.)
  57. "The Fine Structure Intervals of N+ by Far Infrared Laser Magnetic Resonance,"
    J. M. Brown, T. D. Varberg, K. M. Evenson, and A. L. Cooksy,
    Astrophys. J. 428, L37-L40 (1994).
  58. "Dipole Moment Analysis of Excited van der Waals Vibrational States of ArHCl,"
    A. L. Cooksy, M. J. Elrod, R. J. Saykally, and W. Klemperer,
    J. Chem. Phys. 99, 3200-3204 (1993). (doi:10.1063/1.465128.)
  59. "Spectroscopic Characterization of The Lowest Σ and Π Bending States of ArHCN,"
    S. Drucker and A. L. Cooksy and W. Klemperer,
    J. Chem. Phys. 98, 5158-5183 (1993). (doi:10.1063/1.464918.)
  60. "The Millimeter-Wave Spectra of the HCCCO and DCCCO Radicals,"
    A. L. Cooksy, J. K. G. Watson, C. A. Gottlieb, and P. Thaddeus,
    J. Mol. Spectrosc. 153, 610-626 (1992). (doi:10.1016/0022-2852(92)90497-C.)
  61. "The Rotational Spectrum of the Carbon Chain Radical HCCCO,"
    A. L. Cooksy, J. K. G. Watson, C. A. Gottlieb, and P. Thaddeus,
    Astrophys. J. 386, L27-L30 (1992).
  62. "High Resolution Spectrum of the v=1 Π State of ArHCN,"
    A. L. Cooksy, S. Drucker, J. Faeder, C. A. Gottlieb, and W. Klemperer,
    J. Chem. Phys. 95, 3017-3019 (1991). (doi:10.1063/1.460906.)
  63. "The C7 Cluster: Structure and Infrared Frequencies,"
    J. R. Heath, R. Sheeks, A. L. Cooksy, and R. J. Saykally,
    Science 249, 895-897 (1990).
  64. "Tunable Far-Infrared Laser Spectroscopy of Jet-Cooled Carbon Clusters: the ν2 Bending Vibration of C3,"
    C. A. Schmuttenmaer, R. C. Cohen, N. Pugliano, J. R. Heath, A. L. Cooksy, K. L. Busarow, and R. J. Saykally,
    Science 249, 897-900 (1990).
  65. "Cavity Ring Down Dye Laser Spectroscopy of Jet-Cooled Metal Clusters,"
    A. O'Keefe, J. J. Scherer, A. L. Cooksy, R. Sheeks, J. R. Heath, and R. J. Saykally,
    Chem. Phys. Lett. 172, 214-218 (1990). (doi:10.1016/0009-2614(90)85390-X.)
  66. "Diode Laser Absorption Spectroscopy of Supersonic Carbon Cluster Beams: the ν3 Spectrum of C5,"
    J. R. Heath, A. L. Cooksy, M. H. W. Gruebele, C. A. Schmuttenmaer, and R. J. Saykally,
    Science 244, 564-566 (1989).
  67. "Accurate Determination of the Fine-Structure Intervals in the 3P Ground States of 13C and 12C by Far-Infrared Laser Magnetic Resonance,"
    A. L. Cooksy, R. J. Saykally, J. M. Brown, and K. M. Evenson,
    Astrophys. J. 309, 828-832 (1986).
  68. "Direct Measurement of the Fine-Structure Interval and gJ Factors of Singly Ionized Atomic Carbon by Laser Magnetic Resonance,"
    A. L. Cooksy, G. A. Blake, and R. J. Saykally,
    Astrophys. J. 305, L89-L92 (1986).
  69. "Precise Measurement of the J=2-1 Fine Structure Transition in N(II) by Far-Infrared Laser Magnetic Resonance,"
    A. L. Cooksy, D. C. Hovde, and R. J. Saykally,
    J. Chem. Phys. 84, 6101-6107 (1986). (doi:10.1063/1.450800.)

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