Andreas Zavitsas
Organic Chemistry

Link to Theoretical/Computational Chemistry Home Page at LIU

Ph.D., Columbia University, NY, 1962
M.A., Columbia University, NY, 1961
B.S., The City College, NY, 1959

Research Interests
Organic free radical reactions, kinetics, thermochemistry, semi-empirical calculations, aqueous solutions, phenolic resins.

Department of Chemistry, the Brooklyn Campus of L.I.U., 1967-present.
Visiting research professor, National Research Council, Bologna, Italy, 1994.
Visiting research fellow, Australian National University, Canberra, 1986, 1988, 1993.
Research chemist, Monsanto Chemical Co., Springfield, Mass., 1964-1967.
Research associate, Brookhaven National Laboratory of the U.S. Atomic Energy Commission, Upton, N.Y., 1962-1964.

Selected Publications

"Reactions of Alkyl Radicals with Substituted Toluenes and the Effect of Substituents on Dissociation Energies of Benzyl C-H Bonds." Arafat, A. M., Mathew S. K., Akintobi, S. O., Zavitsas, A. A. Helv. Chim. Acta 2006, 89, 2226-2242.

"Comparison of the relative accuracy of the potential energy curve of hydrogen fluoride from ab initio calculations and from an empirical ′universal′ function." Zavitsas, A. A. J. Mol. Spectrosc. 2006, 236, 168-172.

"The potential energy curve of the ground state potassium dimer, X1&Sigma+g K2." Zavitsas, A. A. J. Chem. Phys. 2006, 124, 144318-1--144318-4.

"Stabilization Energies of Extensively Conjugated Propargylic Radicals." Rogers, D. W.; Matsunaga, N.; Zavitsas, A. A. J. Org. Chem. 2006, 71, 2214-2219.

"Aqueous Solutions of Calcium Ions: Hydration Numbers and the Effect of Temperature." Zavitsas, A. A. J. Phys. Chem. B 2005, 109, 20636-20640.

"G3(MP2) Enthalpies of Hydrogenation, Isomerization, and Formation of Extended Linear Polyacetylenes." Rogers, D. W., Zavitsas, A. A., Matsunaga, N. J. Phys. Chem. A 2005, 109, 9169-9173.

News Story: "Is Conjugation Stabilization Real?" Chemical & Engineering News 2004, 82(51), 48.

"On the Lack of Conjugation Stabilization in Polyynes (Polyacetylenes)."  Rogers, D. W.;  Matsunaga, N.; McLafferty, F.; Zavitsas, A. A.; Liebman, J. F. J. Org. Chem. 2004, 69, 7143-7147.

"Regularities in molecular properties of ground state stable diatomics." Zavitsas, A. A. J. Chem. Phys. 2004, 120, 10033-10036.

"Comparison of spectroscopic potentials and an a priori analytical function.  The potential energy curve of the ground state of the sodium dimer, X1 Σ+g Na2."  Matsunaga, N.; Zavitsas, A. A. J. Chem. Phys. 2004, 120, 5624-5630.

"The Potential Energy Curve of the Ground State of Lithium, X 1Σ+g Li2."  Zavitsas, A. A. J. Mol. Spectrosc. 2003, 221, 67-71.

"The Conjugation Stabilization of 1,3-Butadiyne Is Zero."  Rogers, D. W.; Matsunaga, N.; Zavitsas, A. A., McLafferty, F. J.; Liebman, J. F. Org. Lett. 2003, 5, 2373-2375.

"Paulings Electronegativity Equation and a New Corollary Accurately Predict Bond Dissociation Enthalpies and Enhance Current Understanding of the Nature of the Chemical Bond." Matsunaga, N.; Rogers, D. W.; Zavitsas, A. A. J. Org. Chem. 2003, 68, 3158-3172.

"The Relation between Bond Lengths and Dissociation Energies of Carbon-Carbon Bonds." Zavitsas, A. A. J. Phys. Chem. A 2003, 107, 897-898.

"Properties of Water Solutions of Electrolytes and Nonelectrolytes."  Zavitsas, A. A. J. Phys. Chem. B 2001, 105, 7805-7817.

"Logic vs. Misconceptions in Undergraduate Organic Textbooks. Radical Stabilities and Bond Dissociation Energies."  Zavitsas, A. A. J. Chem. Educ. 2001, 78, 417-419.

"Energy Barriers to Chemical Reactions. Why, How and How Much? Non-Arrhenius Behavior in Hydrogen Abstractions by Radicals."  Zavitsas, A. A. J. Am. Chem. Soc. 1998, 120, 6578-6586.

"5-exo-trig versus 6-endo-trig Cyclization of Alk-5-enoyl Radicals. The Role of One-Carbon Ring Expansion."  Chatgilialoglu, C.; Ferreri, C.; Lucarini, M.; Venturini, A.; Zavitsas, A. A. Chem. Eur. J. 1997, 3, 376-387.

"Factors Controlling Reactivity in Hydrogen Abstractions by Free Radicals."  Zavitsas, A. A. J. Chem. Soc., Perkin Trans. 2 1996, 391-394.

"Energies of Activation. The Paradigm of Hydrogen Abstractions by Radicals."  Zavitsas, A. A.; Chatgilialoglu, C. J. Am. Chem. Soc. 1995, 117, 10645-10654.

"Accurate Calculations of Reactivities and Diasterioselectivities in Complex Molecules. An AM1 Study of 1,3-Dioxolan-4-ones and Related Oxygen Heterocycles."  Beckwith, A. L. J.; Zavitsas, A. A. J. Am. Chem. Soc. 1995, 117, 607-614.

"The Energy-Distance Relationship in Chemical Bonding. Accurate Calculation of Potential Energy Curves."  Zavitsas, A. A. J. Am. Chem. Soc. 1991, 113, 4755-4767.

"Allylic Oxidations by Peroxters Catalyzed by Copper Salts. The Potential for Stereoselective Syntheses."  Beckwith, A. L. J.; Zavitsas, A. A. J. Am. Chem. Soc. 1986, 108, 8230-8234.

"Kinetics of Free Radical Brominations. Effects of Ring Substitution on the Strength of Benzyl C-H Bonds."  Zavitsas, A. A.; Fogel, G.; Halwagi, K. E.; Donnaruma-Legotte, P. A. M. J. Am. Chem. Soc. 1983, 105, 6960-6962.

"Hydrogen Abstractions by Free Radicals. Factors Controlling Reactivity."  Zavitsas, A. A.; Melikian, A. A. J. Am. Chem. Soc. 1975, 97, 2757-2763.

"The Meaning of the Polar Effect in Hydrogen Abstractions by Free Radicals. Reactions of the tert-Butoxy Radical." <  Zavitsas, A. A.; Pinto, J. A. J. Am. Chem. Soc. 1972, 94, 7390-7396.

"Kinetics of the Free Radical Chain Chlorination of Hydrocarbons with tert-Butyl Hypochlorite."  Zavitsas, A. A.; Blank, J. D. J. Am. Chem. Soc. 1972, 94, 4603-4608.

"Activation Energy Requirements in Hydrogen Abstractions. Quantitative Description of the Causes in Terms of Bond Energies and Infrared Frequencies."  Zavitsas, A. A., J. Am. Chem. Soc. 1972, 94, 2779-2789.

"The Reversible Hydration of Formaldehyde. Thermodynamic Parameters."  Zavitsas, A. A.; Coffiner, M.; Wiseman, T.; Zavitsas, L. R. J. Phys. Chem. 1970, 74, 2746-2750.

"Base-Catalyzed Hydroxymethylation of Phenol by Aqueous Formaldehyde. Kinetics and Mechanism."  Zavitsas, A. A.; Beaulieu, R. D.; LeBlank, J. R. J. Polymer Sci. A-1 1968, 6, 2541-2559.

"Energetics of Alkyl Radical Reactions. Competitive Abstraction of Halogens."  Zavitsas, A. A.; Ehrenson, S. J. Am. Chem. Soc. 1965, 87, 2841-2846.

"The Transition State in Methyl Radical Formation. The Secondary a-Deuterium Isotope Effect."  Zavitsas, A. A.; Seltzer, S. J. Am. Chem. Soc. 1964, 86, 3836-3840.

"The Copper Catalyzed Reaction of Peresters with Hydrocarbons."  Walling, C.; Zavitsas, A. A. J. Am. Chem. Soc. 1963, 85, 2084-2090.

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Updated: January 3, 2005