Dr Ekaterina (Katya) Izgorodina Pas

	Lecturer
	PhD (Münster), MSc (Theoretical chemistry), BSc (Chemistry)
	Room:	126, Building 23, Clayton
	Phone:	+61 3 9905 8639
	Fax:	+61 3 9905 4597
	email:	Katya.Pas@sci.monash.edu.au
	Website:	Monash Ionic Liquids

Publications

E. I. Izgorodina, M. L. Coote and L. Radom, Trends in R–X Bond Dissociation Energies (R = Me, Et, i-Pr, t-Bu; X = H, CH3, OCH3, OH, F): A Surprising Shortcoming of DFT, J. Phys. Chem. A, 2005, 109, 7558-7566;
E. I. Izgorodina and M. L. Coote, Accurate Ab Initio Prediction of Propagation Rate Coefficients in Free-Radical Polymerization: Acrylonitrile and Vinyl Chloride, Chem. Phys., 2006, 324, 96-110;
E. I. Izgorodina and M. L. Coote, Reliable Low-Cost Theoretical Procedures for Studying Addition-Fragmentation in RAFT Polymerisation, J. Phys. Chem. A, 2006, 110, 2486-2492;
E. H. Krenske, E. I. Izgorodina and M. L. Coote, An Ab Initio Guide to Structure-Reactivity trends in Reversible Addition-Fragmentation Chain Transfer (RAFT) Polymerisation, Progress in Controlled/Living Radical Polymerisation, ed. Krzysztof Matyjaczewski, American Chemical Society, 2006.
Ah Toy, H. Chaffey-Millar, T. P. Davis, M. H. Stenzel, E. I. Izgorodina, Michelle L. Coote and C. Barner-Kowollik, Thioketone Spin Traps as Mediating Agents for Free Radical Polymerization Processes, Chem. Comm., cover article, 2006, 835-837;
M. L. Coote, E. Krenske and E. I. Izgorodina, Computational Studies of RAFT Polymerization — Mechanistic Insights and Practical Applications, feature article, Macromolecular Rapid Communications, 2006, 27, 473-497;
E. I. Izgorodina and M. L. Coote. Is the addition-fragmentation step of the RAFT polymerization process chain length dependent? Macromolecular Theory and Simulations, cover article, 2006, 15, 394-403;
M. L. Coote, E. I. Izgorodina, G. Cavigliasso, M. Roth, M. Busch and C. Barner-Kowollik. Addition-Fragmentation Kinetics of Fluorodithioformates (F-RAFT) in Styrene and Vinyl Acetate Polymerization — An Ab Initio Investigation, Macromolecules, 2006, 39, 4585-4591;
M. L. Coote, E. I. Izgorodina, E. H. Krenske, M. Busch and C. Barner-Kowollik. Quantum Chemical Mapping of Initialization Processes in RAFT Polymerization. Macromolecular Rapid Communications, 2006, 27, 1015-1022;
H. Chaffey-Millar, E. I. Izgorodina, C. Barner-Kowollik and M. L. Coote. Radical Addition to Thioketones: Computer-aided Design of Spin Traps For Controlling Free-Radical Polymerization, J. Chem. Theory Comput., 2006, 2, 1632-1645;
P. C. Howlett, E. I. Izgorodina, D. R. MacFarlane and M. Forsyth. Electrochemistry at negative potentials in bis(trifluoromethanesulfonyl)amide Ionic Liquids , Z. Phys. Chem., 2006, 220, 1483-1498;
E. I. Izgorodina, M. Forsyth and D. R. MacFarlane. Towards better understanding of “delocalised charge” in ionic liquid anions, Aust. J. Chem., 2007, 60, 15-20;
S. R. Chesman, D. R. Turner, E. I. Izgorodina, D. R. MacFarlane, S. R. Batten and G. B. Deacon, Homoleptic 12-Coordinate Lanthnoids with m2-Nitroso Ligands, Dalton Trans., 2007, 1371-1373;
E. I. Izgorodina, L. Lin and M. L. Coote. Energy-Directed Tree Search: An Efficient Systematic Algorithm for Finding the Lowest Energy Conformation of Oligomeric Molecules, Phys. Chem. Chem. Phys., 2007, 9, 2507-2516;
D. R. MacFarlane, M. Forsyth, P. C. Howlett, J. M. Pringle, J. Sun, G. Annat and E. I. Izgorodina. Ionic Liquids In Electrochemical Devices And Processes – Managing Interfacial Electrochemistry, Acc. of Chem. Res., 2007, 40, 1165-1173;
E. I. Izgorodina, D. R. B. Brittain, J. L. Hodgson, E. H. Krenske, C. Y. Lin, M. Namazian and M. L. Coote. Should Contemporary DFT Theory Methods Be Used To Study The Thermodynamics Of Radical Reactions? J. Phys. Chem. A., 2007, 111(42), 10754-10768;
M. L. Coote, E. H. Krenske and E. I. Izgorodina, Quantum-Chemical Studies of RAFT Polymerization: Methodology, Structure-Reactivity Correlations and Kinetic Implications, in Handbook of RAFT polymerization, ed. Ch. Barner-Kowollik;
K. J. Fraser, E. I. Izgorodina, J. L. Scott and D. R. MacFarlane, Liquid Ion Pairs (LIPs): ionic liquids that exhibit poor ion mobility, cover article, Chem. Commun., 2007, 3817-3819;
Y. Lin, E. I. Izgorodina and M. L. Coote, How Accurate Are Approximate Methods for Evaluating Partition Functions for Hindered Internal Rotations? J. Phys. Chem. A., 2008, 112(9), 1956-1964;
K. Johansson, E. I. Izgorodina, M. Forsyth, D. R. MacFarlane and K. R. Seddon, Protic ionic liquids based on the dimeric and oligomeric anions: [(AcO)xHx-1]-, Phys. Chem. Chem. Phys., 2008, 10(20), 2972-2978;
R. Byrne, K. J. Fraser, E. I. Izgorodina, D. R. MacFarlane, M. Forsyth and D. Diamond, Photo- and Thermochromism of Benzospiropyran In Ionic Liquids Containing The Tf2N Anion, Phys. Chem. Chem. Phys., 2008, 10(38). 5919-5924;
G. B. Deacon, C. M. Forsyth, P. C. Junk, T. J. Ness, E. I. Izgorodina, J. Baldamus, G. Meyer, I. Pantenburg, J. Hitzbleck, and K. Ruhlandt-Senge, The Supramolecular Architecture of Arene Complexes of Bis(polyfluorophenyl)mercurials, Eur. J. Inorg. Chem., 2008, 4770-4780;
N. Rocher, E. I. Izgorodina, M. Forsyth, D. R. MacFarlane, M. Horne, T. Rodopoulos, and F. Endres, Investigation of ion association in 1-butyl-1-methyl pyrrolidinium bis(trifluoromethanesulfonyl)amide – AlCl3 ionic liquid, Chem. Eur. J., in press.