Chemistry
Department

East Tennessee
State University

Dr. Scott Kirkby

Research Interests

  • Ab initio quantum chemistry calculations of small molecules particularly inorganic clusters.

  • Raman and infrared spectroscopy.

  • Reactions of small molecules on microporous surfaces.

ETSU Quantum Chemistry Compute Cluster

Course Sites

Selected Publications

Refereed Publications (reverse chronological order)

  1. Jensen, James, O.; Banerjee, Ajit; Zeroka, Daniel; Merrow, Clifton N.; Gilliam J., Sean; Kirkby, Scott J. A Theoretical Study of P4O10: Vibrational Analysis, Infrared and Raman Spectra, Spectrochimica Acta A 2004, 60, 1947-1955.

  2. Gilliam, Sean J.; Jensen, James, O.; Banerjee, Ajit; Zeroka, Daniel; Kirkby, Scott J.; Merrow, Clifton N. A Theoretical and Experimental Study of Sb4O6: Vibrational Analysis, Infrared and Raman Spectra, Spectrochimica Acta A 2004, 60, 425-434.

  3. Jensen, James, O.; Banerjee, Ajit; Zeroka, Daniel; Gilliam J., Sean; Kirkby, Scott J.; Merrow, Clifton N. A Theoretical Study and Experimental Study of As4O6: Vibrational Analysis, Infrared and Raman Spectra, Journal of Molecular Structure (Theochem) 2003, 664-665, 145-156.

  4. Gilliam, Sean J.; Merrow, Clifton N.; Kirkby, Scott J.; Jensen, James, O.; Zeroka, Daniel; Banerjee, Ajit. Raman Spectroscopy of Arsenolite: Crystalline Cubic As4O6, Journal of Solid-State Chemistry 2003, 173, 54-58.

  5. Gilliam, Sean J.; Kirkby, Scott J.; Jensen, James, O.; Zeroka, Daniel; Banerjee, Ajit; Merrow, Clifton N. Raman Spectroscopy of Rhombohedral P4O10, Journal of Physical Chemistry B 2003, 107, 2892-2896.

  6. Kirkby, Scott J.; Frei, Heinz. Highly Selective Photochemical and Thermal Chlorination of Benzene by Cl2 in NaZSM-5. Journal of Physical Chemistry B 1998, 102, 7106-7111.

  7. Ahari, Homayoun; Garcia, Armando; Kirkby, Scott J.; Ozin, Geoffrey A.; Young, David; Lough, Alan J. Self-assembling Iron and Manganese Metal-Germanium-Selenide Frameworks: [NMe4]2MGe4Se10, where M = Fe or Mn. Dalton Transactions 1998, 12, 2023-2027.

  8. Bowes, Carol L.; Huynh, Wendy U.; Kirkby, Scott J.; Malek, Andrzej; Ozin, Geoffrey A.; Petrov, Srebri; Twardowski, Mariusz; Young, David; Bedard, Robert L.; Broach, Bob. Dimetal Linked Open Frameworks: [(CH3)4N]2 (Ag2, Cu2)Ge4Se10. Chemistry of Materials 1996, 8, 2147-2152.

  9. Kirkby, Scott J.; Lough, Alan; Ozin, Geoffrey A. Crystal Structure of Potassium Fluoride Aluminophosphate KFALPO4. Zeitschrift für Krystallographie 1995, 210, 956.

  10. Holmes, Andrew J.; Kirkby, Scott; Ozin, Geoffrey A.; Young, David. Raman Spectra of the Unidimensional Aluminophosphate Molecular Sieves AlPO4-11, AlPO4-5, AlPO4-8, VPI-5. Journal of Physical Chemistry 1994, 98, 4677-4682.

  11. Bedard, Robert L.; Bowes, Carol L.; Coombs, Neil, Holmes, Andrew J; Jiang, Tong; Kirkby, Scott J.; Macdonald, Peter M.; Malek, Andrzej M.; Ozin, Geoffrey A.; Petrov, Srebri; Plavac, Nick; Ramik, Robert A.; Steele, Mark R.; Young, David. Cloverite: Exploring the 30Å Supercage for Advanced Materials Applications. Journal of the American Chemical Society 1993, 115, 2300-2313.

  12. Mack, John; Kirkby, Scott; Ough, Edward A.; Stillman, Martin J. Ground-State and Optical Spectrum of Metallophthalocyanine Radical Anions from Low-Temperature Magnetic Circular Dichroism Spectroscopy. Inorganic Chemistry 1992, 31, 1717-1719.

Student Thesis

  1. Schaeffer, Tara L. Synthesis of Transition Metal Substituted Large Crystal Zeolite ZSM-5, University of Missouri-Rolla, 2001, Masters Thesis.

Refereed Proceedings (reverse chronological order)

  1. Kirkby, Scott J.; Ozin, Geoffrey A. FT-Raman Spectroscopy of Germanium Chalcogenide Open-Framework Materials and Precursors. In Proceedings of the International Symposium on Pits and Pores: Formation, Properties, and Significance for Advanced Luminescence Materials, Proceedings of the Electrochemical Society, Montreal, Canada, May 1997, Schmuki, P.; Lockwood, D.J.; Isaacs, H.S.; Bsiesy, A., Eds.; The Electrochemical Society: Pennington, New Jersey, 1997; 97-7, 438-446.

  2. Kirkby, Scott J.; Ozin, Geoffrey A. Spectroscopy of Iron Germanium Sulfide Open-Framework Materials and Precursors. In Microporous and Macroporous Materials; Proceedings of the Materials Research Society, San Francisco, California, 8-11 April 1996, Lobo, Raul F.; Beck, Jeffrey, S.; Suib, Steven L.; Corbin, David R.; Davis, Mark E.; Iton, Lennox, E.; Zones, Stacey I.; Eds.; Materials Research Society: Pittsburgh, Pennsylvania, 1996; 431, 165-170.

  3. Ozin, Geoffrey A.; Kirkby, Scott; Mesaros, Michele; Ozkar, Siam; Stein, Andreas; Stucky, Galen D. New Materials for Nonlinear Optics: Intrazeolite Semiconductor Quantum Dots and Quantum Supralattices. In Materials for Nonlinear Optics, Chemical Perspectives, Proceedings of the American Chemical Society, Boston, Massachusetts, 1991, American Chemical Society: Washington D.C., U.S.A., 1991; 455, 554-581.

Unrefereed Publication

  1. Bowes, Carol; Kirkby, Scott J.; Ozin, Geoffrey A. Nanoporous Materials: University of Toronto Successfully Applies C2 Rietveld to Structural Refinement. mc2 Quarterly 1995, 2 (3), 14-15.

Presentations (reverse chronological order)

  1. Saylor, Ben; Kirkby, Scott J. Ab Initio Quantum Chemistry Calculations on the Stability and Geometry of Dimethylcyclobutadiene. Presented at the 230th American Chemical Society National Meeting, Washington, D.C., 28 August - 1 September 2005.

  2. Jensen, James O.; Banerjee, Ajit; Zeroka, Daniel; Merrow, Clifton N.; Gilliam, Sean J.; Kirkby, Scott J. A Theoretical Study of P4O10: Vibrational Analysis, Infrared and Raman Spectra. Presented at the 230th American Chemical Society National Meeting, Washington, D.C., 28 August - 1 September 2005.

  3. Gilliam, Sean J.; Merrow, Clifton N.; Kirkby, Scott J.; Jensen, James O.; Zeroka, Daniel; and Banerjee, Ajit Raman Spectroscopy of Arsenolite: Crystalline Cubic As4O6. Presented at the 230th American Chemical Society National Meeting, Washington, D.C., 28 August - 1 September 2005.

  4. Kirkby, Scott J. FT-IR Study of the Acid Free Nitration of Benzene and Toluene Using NaZSM-5. Presented at the 225th American Chemical Society National Meeting, New Orleans, Louisiana, 23-27 March 2003.

  5. Kirkby, Scott J. [(CH3)4N]2FeGe4S10 and Cs2FeGe4S10, A Solid-State Example of Molecular Orbital Theory. Presented at the 225th American Chemical Society National Meeting, New Orleans, Louisiana, 23-27 March 2003.

  6. Kirkby, Scott J.; Schaeffer, Tara L. Synthesis and Characterization Spectroscopy of Synthetic Tinsleyite. Presented at the 36th Midwest Regional Meeting of the American Chemical Society, Lincoln, Nebraska, 10-13 October 2001.

  7. Kirkby, Scott J. Use of a Fiber Optic Linear CCD Array UV-Visible Spectrometer to Determine the Enthalpy of Sublimation of Iodine. Presented at the 36th Midwest Regional Meeting of the American Chemical Society, Lincoln, Nebraska, 10-13 October 2001.

  8. Kirkby, Scott J.; Schaeffer, Tara L. Synthesis and Characterization of Large Crystal Transition Metal Substituted Zeolite ZSM-5. Presented at the 222nd American Chemical Society National Meeting, Chicago, Illinois, 26-30 August 2001.

  9. Kirkby, Scott J. Synthesis and Characterization Spectroscopy of Synthetic Tinsleyite. Presented at the 222nd American Chemical Society National Meeting, Chicago, Illinois, 26-30 August 2001.

  10. Kirkby, Scott J. Use of a Fiber Optic Linear CCD Array UV-Visible Spectrometer to Determine the Enthalpy of Sublimation of Iodine. Presented at the 222nd American Chemical Society National Meeting, Chicago, Illinois, 26-30 August 2001.

  11. Schaeffer, Tara L.; Kirkby, Scott J. Synthesis and Crystal Structure Determination of Large Crystal Transition Metal Substituted Zeolite ZSM-5. Presented at the 35th Midwest Regional Meeting of the American Chemical Society, St. Louis, Missouri, 25-27 October 2000.

  12. Kirkby, Scott J.; Schaeffer, Tara L.; Young, David; Rath, Nigam P.; Synthesis, Single Crystal Structure and Characterization Spectroscopy of Synthetic Tinsleyite. Presented at the 35th Midwest Regional Meeting of the American Chemical Society, St. Louis, Missouri, 25-27 October 2000.

  13. Kirkby, Scott J.; Ozin, Geoffrey A. FT-Raman Spectroscopy of Germanium Chalcogenide Open-Framework Materials and Precursors. Presented at the 192nd. Meeting of the Electrochemical Society, Montreal, Canada, 7 May 1997.

  14. Kirkby, Scott J.; Ozin, Geoffrey A. Spectroscopy of Iron Germanium Sulfide Open-Framework Materials and Precursors. Presented at the Spring Meeting of the Materials Research Society, San Francisco, California, 9 April 1996.

  15. Kirkby, Scott J.; Ozin, Geoffrey A.; Broach, Bob. Self-Assembling Metal Germanium Sulfide Frameworks. Presented at the 27th Inorganic Discussion Weekend, University of Western Ontario, London, Canada, 4 November 1995.

  16. Kirkby, Scott J.; Bowes, Carol L.; Huynh, Wendy U.; Malek, Andrzej; Ozin, Geoffrey A.; Petrov, Srebri; Twardowski, Mariusz; Young, David; Bedard, Robert L.; Broach, Bob. Self-Assembling Metal Germanium Sulfide Frameworks. Presented at the American Chemical Society National Meeting, Chicago, Illinois, 21 August 1995.

  17. Kirkby, Scott J.; Meath, William J. Time-Dependent Perturbation Theory Solution for Two Photon-Two Mode Elliptical Dichroism. Presented at the Southwestern Ontario Undergraduate Student Chemistry Conference, University of Waterloo, Waterloo, Canada, 18 March 1989.

Posters (reverse chronological order)

  1. Kirkby, Scott J. Screening for Ge4X104- (X=S, Se) Adamantanoid Cluster Synthesis Using Ab Initio Vibrational Calculations and FT-Raman Spectroscopy. Presented at the 225th American Chemical Society National Meeting, New Orleans, Louisiana, 23-27 March 2003.

  2. Kirkby, Scott J. Identification of Se Substitution Location in Ge4S9Se4- Clusters Using Ab Initio Vibrational Calculations and FT-Raman Spectroscopy. Presented at the 225th American Chemical Society National Meeting, New Orleans, Louisiana, 23-27 March 2003.

  3. Kirkby, Scott J.; Schaeffer, Tara L. Synthesis and Characterization of Large Crystal Transition Metal Substituted Zeolite ZSM-5. Presented at the 36th Midwest Regional Meeting of the American Chemical Society, Lincoln, Nebraska, 10-13 October 2001.

  4. Gilbert, Lynell J.; Kirkby, Scott J. In Situ FT-IR Study of the Adsorption of Dimethyl Methylphosphonate in Zeolites. Presented at the 36th Midwest Regional Meeting of the American Chemical Society, Lincoln, Nebraska, 10-13 October 2001.

  5. Kirkby, Scott J.; Frei, Heinz. Highly Selective Photochemical and Thermal Chlorination of Benzene by Cl2 in NaZSM-5. Presented at the Zeolitic and Layered Materials Gordon Research Conference, Plymouth State College, Plymouth, New Hampshire, 15-20 June 1997.

  6. Kirkby, Scott; Ough, Edward; Stillman, Martin J. Spectroscopic and Electrochemical Studies of Magnesium Phthalocyanine and its π Cation and π Anion Radical Complexes. Presented at the 20th Inorganic Discussion Weekend, York University, North York, Canada, 14-16 October 1988.





Last updated: 23 September 2005

Chemistry
Department

East Tennessee
State University


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