Dr. Jason L. Sonnenberg

Research Associate

Office: Rm 379 Chemistry Bldg
Email: molecule@wayne.edu
Phone: (313) 577-2546

Education

Ph.D. in Physical Chemistry, Ohio State University, Columbus, OH, 2005

Advisor: Professor Bruce E. Bursten

B.A. with Honors in Chemistry and Basis Studies, Eastern Michigan University, Ypsilanti, MI, 2000

Advisor: Professor Maria C. Milletti

Professional Experience

Winter 2008 Guest Lecturer, Visualizing molecular orbital interactions,

CHM 6440 – Computational Chemistry, Wayne State University

Winter 2008 Guest Lecturer, A review of electronic spectroscopy,

CHM 5440 – Physical Chemistry II, Wayne State University

2005 – Present Research Associate (2008 – Present), Wayne State University

Postdoctoral Research Fellow (2005 – 2008), Wayne State University

Advisor: Professor H. Bernhard Schlegel

2002 – 2004 Glenn T. Seaborg Institute Summer Research Fellow, Los Alamos National Laboratory

Advisors: Drs. P. Jeffrey Hay and Richard L. Martin

2000 – 2005 Graduate Teaching & Research Assistant, Ohio State University, Columbus, OH

- Honors General Chemistry II

- Physical Chemistry: Statistical Mechanics & Thermodynamics

- General Chemistry II

- Physical Chemistry: Quantum Mechanics

- Physical Chemistry Laboratory I & II

1999 – 2000 Robotics System Programmer, Pharmaceutical Delivery Systems Discovery Lead

Optimization, Parke-Davis Pharmaceuticals, Ann Arbor, MI

1997 – 1998 Analytical Laboratory Technician, Pharmaceutical Delivery Systems Discovery Lead

Optimization, Parke-Davis Pharmaceuticals, Ann Arbor, MI

1995 – 1999 Student Technical Supervisor, Learning Technologies Student Computer Labs,

Eastern Michigan University, Ypsilanti, MI

Research

Doctoral Research: Structure and Reactivity Studies of Environmentally Relevant Actinide-containing

Species using Relativistic Density Functional Theory, with Professor Bruce E. Bursten

Undergraduate Research: Ab initio Treatment of the Synthesis of (3-(2,3,4,5-

Tetramethylcyclopentadienyl)propoxy)titanium Dichloride, with Professor Maria C. Milletti

Undergraduate Research: Iron Carbonyl Cluster Complexes – Synthesis and Characterization, with

Professor Jose C. Vites

Honors

ACS Division of Inorganic Chemistry Travel Award – 2005
LANL Student Symposium Overall Best Chemistry Oral Presentation– 2002
Hypercube Scholar – 2000
Wiley Inorganic Chemistry Award – 2000
Ronald W. Collins Endowed Scholarship in Chemistry – 1999
EMU Honors Undergraduate Research Assistantship – 1998, 2000
EMU Learning Technologies Student Assistantship in Computing Technology – 1998
Excellence in German Studies – 1998
S P S National Physics Honor Society – 1998
EMU Chemistry Dept. Service Award – 1998
Floyd Leib Physics Scholarship – 1997, 1998
Mercantile Stores Company Inc. Excel Through Education Scholarship – 1995, 1997
EMU Recognition of Excellence Housing Scholarship – 1995
BSA Eagle Scout – 1993

Programming Languages & Projects

FORTRAN
PERL
Visual Basic
Electronic Structure PERL Toolkit
Empirical Valence Bond Toolkit
Gaussian09

Affiliations

American Chemical Society – 1997 - Present
American Physical Society – 1998 - Present
EMU Goddard Hall Governor – 1997
EMU Chemistry Club – 1996 - 2000
EMU Ballroom Dance Assn. – 1995 - 2000
EMU Choir – 1995 - 1996

Publications

10. Sonnenberg, J. L.; Schlegel, H. B.; ”Empirical valence bond models for reactive potential energy surfaces. II. Intramolecular proton transfer in pyridone and the Claisen reaction of allyl vinyl ether,‘ Molecular Physics, 2007, 105, 2719-2729.

Chaka, G.; Sonnenberg, J. L.; Schlegel, H. B.; Heeg, M. J.; Jaeger, G.; Nelson, T. J.; Ochrymowycz, L. A.; Rorabacher, D. B.; ”A definitive example of a geometric ”entatic state‘ effect: Electron-transfer kinetics for a copper(II/I) complex involving a quinquedentate macrocyclic trithiaether-bipyridine ligand,‘ J. Am. Chem. Soc., 2007, 129, 5217-5227.

Seadeek, C.; Ando H.; Bhattachar, S. N.; Heimbach, T.; Sonnenberg, J. L.; Blackburn, A. C.; ”Automated approach to couple solubility with final pH and crystallinity for pharmaceutical discovery compounds,‘ J. Pharm. Biomed. Anal., 2007, 43, 1660-1666.

Schlegel, H. B.; Sonnenberg, J. L.; ” Empirical valence bond models for reactive potential energy surfaces using distributed Gaussians,‘ J. Chem. Theory Comput., 2006, 2, 905-911.

Bursten, B. E.; Palmer, E. J.; Sonnenberg, J. L. "On the role of f-orbitals in the bonding in f-element complexes: The ”FEUDAL‘ model as applied to organoactinide and actinide aquo complexes," Recent Advances in Actinide Science, R. Alvares, N. Bryan and I. May, Ed.; Royal Society of Chemistry 2006, 157-162.

Hratchian, H. P.; Sonnenberg, J. L.; Hay, P. J.; Martin, R. L.; Bursten, B. E.; Schlegel, H. B. "Theoretical investigation of uranyl dihydroxide: Oxo ligand exchange, water catalysis, and vibrational spectra," J. Phys. Chem. A., 2005, 109, 8579-8586.

Sonnenberg, J. L.; Hay, P. J.; Martin, R. L.; Bursten, B. E. ”Theoretical investigations of uranyl-ligand bonding: Four- and Five-coordinate uranyl cyanide, isocyanide, carbonyl, and hydroxide complexes,‘ Inorg. Chem., 2005, 44, 2255-2262.

Clark, A. E.; Sonnenberg, J. L.; Hay, P. J.; Martin, R. L. ”Density and wave function analysis of actinide complexes: What can fuzzy atom, atoms-in-molecules, Mulliken, Lowdin, and natural population analysis tell us?‘ J. Chem. Phys., 2004, 121, 2563-2570.

Neu, M. P.; Sonnenberg, J. L.; Bursten, B. E.; ”Classic high-symmetry species that advance our understanding of f-element structure, bonding, and dynamics‘ Actinide Res. Quart., 2004, 1, 7-10.

1. Sonnenberg, J. L.; Milletti M. C. ”Ab initio investigation of the synthesis of (3-(2,3,4,5-tetramethylcyclopentadienyl)propoxy)titanium dichloride,‘ Polyhedron, 2002, 21, 2699-2704.

Presentations

The search for a double-stuffed uranium metallocene

o 40^th Midwest Theoretical Chemistry Conference – Ann Arbor, Michigan 6/2008

o 63^rd OSU International Symposium on Molecular Spectroscopy – Columbus, Ohio 6/2008

Structure and reactivity studies of environmentally important actinide complexes – invited

62^nd Northwest Regional Meeting of the ACS – Boise, Idaho 6/2007

Empirical valence bond models for reactive potential energy surfaces:

Intramolecular proton transfer in pyridone and the Claisen reaction of allyl vinyl ether

39^th Midwest Theoretical Chemistry Conference – Bloomington, Indiana 6/2007

Adventures in Inorganic chemistry: An electronic-structure approach – invited

Department of Chemistry, Wayne State University – Detroit, Michigan 9/2006

Homoleptic nine-coordinate An(III) and Ln(III) complexes: Unraveling f-element bonding

o 60^th OSU International Symposium on Molecular Spectroscopy – Columbus, Ohio 6/2005

o Physical Chemistry Student Lecture Series – Columbus, Ohio 6/2005

Computational studies of electronically coupled ditungsten dialkylidyne complexes

Physical Chemistry Student Lecture Series – Columbus, Ohio 5/2005

Adventures in Actinide chemistry: An electronic-structure approach

Department of Chemistry, Eastern Michigan University – Ypsilanti, Michigan 11/2004

Explorations of Actinide bonding through molecular orbital analysis

Physical Chemistry Student Lecture Series – Columbus, Ohio 4/2004

Structure and bonding of uranyl hydroxide and cyanide complexes in solution – invited

227^th ACS National Meeting – Anaheim, California 3/2004

Beowulf takes CHM 999 – invited

Ohio Supercomputer Center Cluster Focus Group Meeting – Columbus, Ohio 4/2003

Theoretical studies of bonding in uranyl complexes

o 225^th ACS National Meeting – New Orleans, Louisiana 3/2003

o Inorganic Chemistry Student Lecture Series – Columbus, Ohio 10/2002

o Student Symposium II – Los Alamos National Laboratory 7/2002

Ab initio treatment of the synthesis of a cyclopentdienyl-alkoxide titanium complex

Undergraduate Student Symposium XX – Eastern Michigan University 3/2000

Ab initio investigation of the synthesis of (3-(2,3,4,5-tetramethylcyclopentadienyl)propoxy)titanium dichloride

o 31^st ACS Central Regional Meeting – Columbus, Ohio 6/1999

o Undergraduate Student Symposium XIX – Eastern Michigan University 3/1999

Synthesis and catalytic studies of Fe₃(CO)₉(m³-COC(O)C₆H₅)₂

Undergraduate Student Symposium XVIII – Eastern Michigan University 3/1998

Lindy Rock – An east coast swing performance

Undergraduate Student Symposium XVI – Eastern Michigan University 3/1996

Posters

Reactive potential energy surfaces built using distributed Gaussians

38^th Midwest Theoretical Chemistry Conference – Columbus, Ohio 6/2006

Linear bis(cyclopentadienyl) Actinide complexes: A New Class of Organoactinides

38^th Midwest Theoretical Chemistry Conference – Columbus, Ohio 6/2006

Structure and bonding of a Pu(IV) desferrioxamine E complex: A density functional theory approach

24^th Rare Earth Research Conference – Keystone, Colorado 6/2005

Computational studies of electronically coupled ditungsten dialkylidyne complexes.

229^th ACS National Meeting – San Diego, California 3/2005

Homoleptic nine-coordinate An(III) and Ln(III) complexes: Unraveling f-element bonding

o 36^th Midwest Theoretical Chemistry Conference – East Lansing, Michigan 6/2004

o 227^th ACS National Meeting – Anaheim, California 3/2004

Uranyl dihydroxides: A bent Uranyl model

227^th ACS National Meeting – Anaheim, California 3/2004

Molecular O₄: An ab initio investigation

32^nd ACS Central Regional Meeting – Convington, Kentucky 5/2000

Ab initio treatment of the synthesis of a Cyclopentdienyl-alkoxide Titanium complex

219^th ACS National Meeting – San Francisco, California 3/2000

The nature of the transistion structure for the the synthesis of (3-(2,3,4,5-

tetramethylcyclopentadienyl)propoxy)titanium Dichloride: An Ab initio study

55^th ACS Midland Section Fall Scientific Meeting – Midland, Michigan 10/1999

Ab initio investigation of the synthesis of a titanium ylid complex

Great Lakes College Chemistry Conference – East Lansing, Michigan 4/1999

Synthesis and catalytic studies of Fe₃(CO)₉(m³-COC(O)C₆H₅)₂

30^th ACS Central Regional Meeting – Cleveland, Ohio 5/1998